*HEADER    HYDROLASE INHIBITOR                     01-SEP-15   2N71              
*TITLE     NMR STRUCTURE OF CMPI-II, A SERIN PROTEASE INHIBITOR ISOLATED FROM    
*TITLE    2 MOLLUSK CENCHITIS MURICATUS                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEASE INHIBITOR 2;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CMPI-II, PROTEASE INHIBITOR-II;                             
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CENCHRITIS MURICATUS;                           
*SOURCE   3 ORGANISM_COMMON: BEADED PERIWINKLE;                                  
*SOURCE   4 ORGANISM_TAXID: 197001;                                              
*SOURCE   5 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 4922;                                       
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PCM101                                     
*KEYWDS    NON-CLASSICAL KAZAL-INHIBITOR, HYDROLASE INHIBITOR                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    A.CABRERA-MUNOZ, L.ROJAS, M.ALONSO DEL RIVERO ANTIGUA, J.PIRES        
*REVDAT   1   07-SEP-16 2N71    0                                                


 ASSI {    5}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
       4.500     2.500     1.500 peak     5 spectrum    1 weight  0.10000E+01 volume  0.10816E-03 ppm1      9.202 ppm2      9.681 CV     1
  ASSI {    6}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 17   and name HN  ))
       4.300     2.300     1.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.79915E-04 ppm1      7.340 ppm2      8.362 CV     1
  ASSI {    7}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 15   and name HN  ))
       3.300     1.400     1.400 peak     7 spectrum    1 weight  0.10000E+01 volume  0.53524E-03 ppm1      5.453 ppm2      8.961 CV     1
  ASSI {   10}
    (( segid "    " and resid 25   and name HB3 ))
    (  segid "    " and resid 25   and name HD% )
       2.300     0.700     0.700 peak    10 spectrum    1 weight  0.10000E+01 volume  0.42745E-02 ppm1      2.874 ppm2      7.040 CV     1
  ASSI {   11}
    (( segid "    " and resid 25   and name HB2 ))
    (  segid "    " and resid 25   and name HD% )
       2.200     2.200     3.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.48320E-02 ppm1      2.821 ppm2      7.040 CV     1
  ASSI {   12}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
       2.400     0.700     0.700 peak    12 spectrum    1 weight  0.10000E+01 volume  0.40515E-02 ppm1      2.850 ppm2      7.839 CV     1
  ASSI {   14}
    (( segid "    " and resid 14   and name HZ2 ))
    (( segid "    " and resid 14   and name HE1 ))
       2.900     1.100     1.100 peak    14 spectrum    1 weight  0.10000E+01 volume  0.11969E-02 ppm1      7.450 ppm2     10.307 CV     1
  ASSI {   16}
    (( segid "    " and resid 14   and name HH2 ))
    (( segid "    " and resid 14   and name HE1 ))
       4.500     2.500     1.500 peak    16 spectrum    1 weight  0.10000E+01 volume  0.15871E-03 ppm1      7.148 ppm2     10.309 CV     1
  ASSI {   17}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 27   and name HN  ))
       3.900     1.900     1.900 peak    17 spectrum    1 weight  0.10000E+01 volume  0.21298E-03 ppm1      0.586 ppm2      7.342 CV     1
  ASSI {   18}
    (( segid "    " and resid 27   and name HA  ))
    (  segid "    " and resid 17   and name HG2%)
       3.200     1.300     1.300 peak    18 spectrum    1 weight  0.10000E+01 volume  0.49807E-03 ppm1      5.454 ppm2      0.591 CV     1
  ASSI {   20}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 16   and name HD2 ))
       2.700     0.900     0.900 peak    20 spectrum    1 weight  0.10000E+01 volume  0.16540E-02 ppm1      4.525 ppm2      1.110 CV     1
  ASSI {   23}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 34   and name HE22))
       3.200     1.300     1.300 peak    23 spectrum    1 weight  0.10000E+01 volume  0.69878E-03 ppm1      4.583 ppm2      6.887 CV     1
  ASSI {   24}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 34   and name HE21))
       2.700     0.900     0.900 peak    24 spectrum    1 weight  0.10000E+01 volume  0.20369E-02 ppm1      4.583 ppm2      7.989 CV     1
  ASSI {   26}
    (( segid "    " and resid 25   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
       4.100     2.100     1.900 peak    26 spectrum    1 weight  0.10000E+01 volume  0.17135E-03 ppm1      9.552 ppm2      7.063 CV     1
  ASSI {   27}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 10   and name HN  ))
       4.300     2.300     1.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.18510E-03 ppm1      8.351 ppm2      8.114 CV     1
  ASSI {   33}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 27   and name HB3 ))
       2.900     1.100     1.100 peak    33 spectrum    1 weight  0.10000E+01 volume  0.10630E-02 ppm1      5.451 ppm2      3.569 CV     1
  ASSI {   34}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 27   and name HB2 ))
       2.700     0.900     0.900 peak    34 spectrum    1 weight  0.10000E+01 volume  0.17767E-02 ppm1      5.446 ppm2      3.156 CV     1
  ASSI {   35}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 15   and name HB3 ))
       3.500     1.500     1.500 peak    35 spectrum    1 weight  0.10000E+01 volume  0.72108E-03 ppm1      5.456 ppm2      2.966 CV     1
  ASSI {   46}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 14   and name HE3 ))
       4.000     2.000     2.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.36537E-03 ppm1      8.960 ppm2      7.773 CV     1
  ASSI {   51}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
       4.200     2.200     1.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.15351E-03 ppm1      9.305 ppm2      9.530 CV     1
  ASSI {   55}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
       4.500     2.500     1.500 peak    55 spectrum    1 weight  0.10000E+01 volume  0.10482E-03 ppm1      8.450 ppm2      9.672 CV     1
  ASSI {   61}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
       4.300     2.300     1.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.78427E-04 ppm1      7.347 ppm2      9.533 CV     1
  ASSI {   64}
    (  segid "    " and resid 31   and name HE% )
    (( segid "    " and resid 19   and name HN  ))
       4.500     2.500     1.500 peak    64 spectrum    1 weight  0.10000E+01 volume  0.13232E-03 ppm1      6.910 ppm2      9.682 CV     1
  ASSI {   68}
    (  segid "    " and resid 31   and name HD% )
    (( segid "    " and resid 25   and name HN  ))
       4.400     2.400     1.600 peak    68 spectrum    1 weight  0.10000E+01 volume  0.73596E-04 ppm1      6.735 ppm2      9.526 CV     1
  ASSI {   70}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 18   and name HN  ))
       4.100     2.100     1.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.17098E-03 ppm1      9.202 ppm2      8.248 CV     1
  ASSI {   72}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 26   and name HN  ))
       5.600     4.000     0.400 peak    72 spectrum    1 weight  0.10000E+01 volume  0.40515E-04 ppm1      8.661 ppm2      9.305 CV     1
  ASSI {   76}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 26   and name HN  ))
       4.600     2.700     1.400 peak    76 spectrum    1 weight  0.10000E+01 volume  0.52409E-04 ppm1      7.849 ppm2      9.314 CV     1
  ASSI {   78}
    (( segid "    " and resid 30   and name HD21))
    (( segid "    " and resid 26   and name HN  ))
       5.200     3.400     0.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.46462E-04 ppm1      7.456 ppm2      9.305 CV     1
  ASSI {   85}
    (  segid "    " and resid 25   and name HD% )
    (( segid "    " and resid 26   and name HN  ))
       3.600     1.600     1.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.37541E-03 ppm1      7.046 ppm2      9.306 CV     1
  ASSI {   93}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 46   and name HE1 ))
       4.500     2.500     1.500 peak    93 spectrum    1 weight  0.10000E+01 volume  0.10185E-03 ppm1      8.383 ppm2      8.730 CV     1
  ASSI {   95}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 15   and name HN  ))
       4.400     2.400     1.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.14385E-03 ppm1      8.119 ppm2      8.961 CV     1
  ASSI {   96}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 14   and name HN  ))
       4.300     2.300     1.700 peak    96 spectrum    1 weight  0.10000E+01 volume  0.14125E-03 ppm1      8.063 ppm2      8.839 CV     1
  ASSI {   97}
    (( segid "    " and resid 34   and name HE21))
    (( segid "    " and resid 6    and name HN  ))
       4.300     2.300     1.700 peak    97 spectrum    1 weight  0.10000E+01 volume  0.13939E-03 ppm1      7.985 ppm2      8.852 CV     1
  ASSI {  100}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 15   and name HN  ))
       5.100     3.200     0.900 peak   100 spectrum    1 weight  0.10000E+01 volume  0.59100E-04 ppm1      7.342 ppm2      8.962 CV     1
  ASSI {  106}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 7    and name HN  ))
       3.300     1.300     1.300 peak   106 spectrum    1 weight  0.10000E+01 volume  0.59843E-03 ppm1      6.906 ppm2      8.771 CV     1
  ASSI {  109}
    (( segid "    " and resid 27   and name HD22))
    (( segid "    " and resid 15   and name HN  ))
       4.700     2.800     1.300 peak   109 spectrum    1 weight  0.10000E+01 volume  0.13232E-03 ppm1      6.288 ppm2      8.972 CV     1
  ASSI {  113}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 31   and name HN  ))
       4.300     2.300     1.700 peak   113 spectrum    1 weight  0.10000E+01 volume  0.14273E-03 ppm1      7.342 ppm2      7.854 CV     1
  ASSI {  120}
    (( segid "    " and resid 14   and name HD1 ))
    (( segid "    " and resid 14   and name HE3 ))
       4.300     2.300     1.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.15128E-03 ppm1      7.241 ppm2      7.775 CV     1
  ASSI {  125}
    (( segid "    " and resid 14   and name HH2 ))
    (( segid "    " and resid 14   and name HE3 ))
       3.700     1.700     1.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.47949E-03 ppm1      7.146 ppm2      7.769 CV     1
  ASSI {  127}
    (  segid "    " and resid 25   and name HD% )
    (( segid "    " and resid 17   and name HN  ))
       4.600     2.600     1.400 peak   127 spectrum    1 weight  0.10000E+01 volume  0.72852E-04 ppm1      7.046 ppm2      8.360 CV     1
  ASSI {  139}
    (  segid "    " and resid 31   and name HD% )
    (( segid "    " and resid 31   and name HN  ))
       4.000     2.000     2.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.32003E-03 ppm1      6.737 ppm2      7.854 CV     1
  ASSI {  140}
    (  segid "    " and resid 31   and name HD% )
    (( segid "    " and resid 35   and name HE21))
       4.600     2.700     1.400 peak   140 spectrum    1 weight  0.10000E+01 volume  0.56126E-04 ppm1      6.737 ppm2      7.726 CV     1
  ASSI {  143}
    (( segid "    " and resid 27   and name HD22))
    (( segid "    " and resid 30   and name HN  ))
       4.500     2.600     1.500 peak   143 spectrum    1 weight  0.10000E+01 volume  0.84003E-04 ppm1      6.292 ppm2      8.662 CV     1
  ASSI {  145}
    (( segid "    " and resid 27   and name HD22))
    (( segid "    " and resid 27   and name HD21))
       2.000     0.500     0.500 peak   145 spectrum    1 weight  0.10000E+01 volume  0.60586E-02 ppm1      6.292 ppm2      8.119 CV     1
  ASSI {  146}
    (( segid "    " and resid 27   and name HD22))
    (( segid "    " and resid 12   and name HN  ))
       4.600     2.600     1.400 peak   146 spectrum    1 weight  0.10000E+01 volume  0.65047E-04 ppm1      6.282 ppm2      8.582 CV     1
  ASSI {  148}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 5    and name HN  ))
       3.500     1.500     1.500 peak   148 spectrum    1 weight  0.10000E+01 volume  0.53524E-03 ppm1      8.360 ppm2      8.544 CV     1
  ASSI {  151}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 12   and name HN  ))
       3.000     1.200     1.200 peak   151 spectrum    1 weight  0.10000E+01 volume  0.86236E-03 ppm1      8.279 ppm2      8.591 CV     1
  ASSI {  154}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 8    and name HN  ))
       4.100     2.100     1.900 peak   154 spectrum    1 weight  0.10000E+01 volume  0.18696E-03 ppm1      8.113 ppm2      8.513 CV     1
  ASSI {  155}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 12   and name HN  ))
       4.400     2.400     1.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.10333E-03 ppm1      8.109 ppm2      8.594 CV     1
  ASSI {  160}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 32   and name HN  ))
       4.400     2.500     1.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.91439E-04 ppm1      7.718 ppm2      8.670 CV     1
  ASSI {  161}
    (( segid "    " and resid 30   and name HD21))
    (( segid "    " and resid 30   and name HN  ))
       4.200     2.200     1.800 peak   161 spectrum    1 weight  0.10000E+01 volume  0.22376E-03 ppm1      7.462 ppm2      8.661 CV     1
  ASSI {  165}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
       4.600     2.700     1.400 peak   165 spectrum    1 weight  0.10000E+01 volume  0.84747E-04 ppm1      7.850 ppm2      8.281 CV     1
  ASSI {  169}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 24   and name HN  ))
       4.300     2.300     1.700 peak   169 spectrum    1 weight  0.10000E+01 volume  0.18027E-03 ppm1      7.758 ppm2      8.221 CV     1
  ASSI {  173}
    (( segid "    " and resid 30   and name HD21))
    (( segid "    " and resid 10   and name HN  ))
       3.900     1.900     1.900 peak   173 spectrum    1 weight  0.10000E+01 volume  0.19105E-03 ppm1      7.459 ppm2      8.117 CV     1
  ASSI {  175}
    (( segid "    " and resid 30   and name HD21))
    (( segid "    " and resid 31   and name HN  ))
       5.300     3.500     0.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.34010E-04 ppm1      7.449 ppm2      7.849 CV     1
  ASSI {  176}
    (( segid "    " and resid 14   and name HZ2 ))
    (( segid "    " and resid 14   and name HE3 ))
       4.400     2.400     1.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.11671E-03 ppm1      7.454 ppm2      7.774 CV     1
  ASSI {  178}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 37   and name HE21))
       3.400     1.500     1.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.38656E-03 ppm1      7.674 ppm2      7.984 CV     1
  ASSI {  179}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 39   and name HN  ))
       2.600     0.800     0.800 peak   179 spectrum    1 weight  0.10000E+01 volume  0.25572E-02 ppm1      7.714 ppm2      7.825 CV     1
  ASSI {  181}
    (( segid "    " and resid 27   and name HD22))
    (( segid "    " and resid 12   and name HE  ))
       4.000     2.000     2.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.20741E-03 ppm1      6.292 ppm2      7.245 CV     1
  ASSI {  183}
    (( segid "    " and resid 14   and name HH2 ))
    (( segid "    " and resid 14   and name HZ2 ))
       2.500     0.800     0.800 peak   183 spectrum    1 weight  0.10000E+01 volume  0.32077E-02 ppm1      7.151 ppm2      7.454 CV     1
  ASSI {  185}
    (( segid "    " and resid 14   and name HZ3 ))
    (( segid "    " and resid 14   and name HZ2 ))
       3.600     1.600     1.600 peak   185 spectrum    1 weight  0.10000E+01 volume  0.51294E-03 ppm1      7.062 ppm2      7.455 CV     1
  ASSI {  188}
    (( segid "    " and resid 37   and name HE22))
    (( segid "    " and resid 37   and name HN  ))
       3.500     1.600     1.600 peak   188 spectrum    1 weight  0.10000E+01 volume  0.10445E-02 ppm1      6.894 ppm2      7.618 CV     1
  ASSI {  193}
    (  segid "    " and resid 31   and name HD% )
    (  segid "    " and resid 31   and name HE% )
       2.100     0.600     0.600 peak   193 spectrum    1 weight  0.10000E+01 volume  0.54267E-02 ppm1      6.738 ppm2      6.905 CV     1
  ASSI {  194}
    (( segid "    " and resid 31   and name HZ  ))
    (( segid "    " and resid 35   and name HE22))
       3.600     1.600     1.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.63931E-03 ppm1      6.671 ppm2      7.059 CV     1
  ASSI {  195}
    (( segid "    " and resid 31   and name HZ  ))
    (  segid "    " and resid 31   and name HE% )
       2.200     0.600     0.600 peak   195 spectrum    1 weight  0.10000E+01 volume  0.50179E-02 ppm1      6.672 ppm2      6.907 CV     1
  ASSI {  200}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
       4.800     2.900     1.200 peak   200 spectrum    1 weight  0.10000E+01 volume  0.65790E-04 ppm1      5.455 ppm2      8.663 CV     1
  ASSI {  201}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
       4.100     2.100     1.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.10965E-03 ppm1      5.450 ppm2      8.359 CV     1
  ASSI {  206}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 46   and name HE1 ))
       5.400     3.700     0.600 peak   206 spectrum    1 weight  0.10000E+01 volume  0.50922E-04 ppm1      5.218 ppm2      8.732 CV     1
  ASSI {  207}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
       4.900     3.000     1.100 peak   207 spectrum    1 weight  0.10000E+01 volume  0.76197E-04 ppm1      5.221 ppm2      7.236 CV     1
  ASSI {  211}
    (( segid "    " and resid 18   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
       3.600     1.600     1.600 peak   211 spectrum    1 weight  0.10000E+01 volume  0.33118E-03 ppm1      5.213 ppm2      7.044 CV     1
  ASSI {  213}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 14   and name HE3 ))
       2.900     1.000     1.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.13306E-02 ppm1      5.119 ppm2      7.774 CV     1
  ASSI {  214}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 14   and name HD1 ))
       4.200     2.200     1.800 peak   214 spectrum    1 weight  0.10000E+01 volume  0.15649E-03 ppm1      5.120 ppm2      7.241 CV     1
  ASSI {  221}
    (( segid "    " and resid 19   and name HA2 ))
    (  segid "    " and resid 31   and name HE% )
       3.100     1.200     1.200 peak   221 spectrum    1 weight  0.10000E+01 volume  0.68020E-03 ppm1      4.732 ppm2      6.904 CV     1
  ASSI {  222}
    (( segid "    " and resid 19   and name HA2 ))
    (  segid "    " and resid 31   and name HD% )
       3.500     1.500     1.500 peak   222 spectrum    1 weight  0.10000E+01 volume  0.34605E-03 ppm1      4.720 ppm2      6.733 CV     1
  ASSI {  224}
    (( segid "    " and resid 19   and name HA2 ))
    (( segid "    " and resid 22   and name HN  ))
       4.200     2.200     1.800 peak   224 spectrum    1 weight  0.10000E+01 volume  0.15871E-03 ppm1      4.711 ppm2      8.448 CV     1
  ASSI {  226}
    (( segid "    " and resid 19   and name HA2 ))
    (( segid "    " and resid 31   and name HZ  ))
       4.600     2.600     1.400 peak   226 spectrum    1 weight  0.10000E+01 volume  0.13046E-03 ppm1      4.715 ppm2      6.676 CV     1
  ASSI {  233}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 48   and name HN  ))
       2.600     0.800     0.800 peak   233 spectrum    1 weight  0.10000E+01 volume  0.21595E-02 ppm1      4.624 ppm2      8.164 CV     1
  ASSI {  234}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 19   and name HN  ))
       4.100     2.100     1.900 peak   234 spectrum    1 weight  0.10000E+01 volume  0.18659E-03 ppm1      4.612 ppm2      9.676 CV     1
  ASSI {  235}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 45   and name HN  ))
       4.300     2.300     1.700 peak   235 spectrum    1 weight  0.10000E+01 volume  0.84747E-04 ppm1      4.610 ppm2      9.196 CV     1
  ASSI {  238}
    (( segid "    " and resid 11   and name HB  ))
    (( segid "    " and resid 11   and name HN  ))
       3.400     1.400     1.400 peak   238 spectrum    1 weight  0.10000E+01 volume  0.51666E-03 ppm1      4.584 ppm2      8.279 CV     1
  ASSI {  240}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 25   and name HN  ))
       3.100     1.200     1.200 peak   240 spectrum    1 weight  0.10000E+01 volume  0.78800E-03 ppm1      4.578 ppm2      9.529 CV     1
  ASSI {  241}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       4.200     2.200     1.800 peak   241 spectrum    1 weight  0.10000E+01 volume  0.17061E-03 ppm1      4.578 ppm2      7.347 CV     1
  ASSI {  242}
    (( segid "    " and resid 25   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
       3.300     1.300     1.300 peak   242 spectrum    1 weight  0.10000E+01 volume  0.52409E-03 ppm1      4.579 ppm2      7.041 CV     1
  ASSI {  245}
    (( segid "    " and resid 15   and name HA  ))
    (  segid "    " and resid 15   and name HE% )
       5.200     3.300     0.800 peak   245 spectrum    1 weight  0.10000E+01 volume  0.54639E-04 ppm1      4.526 ppm2      6.771 CV     1
  ASSI {  247}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 12   and name HN  ))
       2.200     0.600     0.600 peak   247 spectrum    1 weight  0.10000E+01 volume  0.59843E-02 ppm1      4.521 ppm2      8.554 CV     1
  ASSI {  248}
    (( segid "    " and resid 15   and name HA  ))
    (  segid "    " and resid 15   and name HD% )
       3.000     3.000     3.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.84747E-03 ppm1      4.523 ppm2      7.086 CV     1
  ASSI {  250}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 11   and name HN  ))
       2.800     0.900     0.900 peak   250 spectrum    1 weight  0.10000E+01 volume  0.17172E-02 ppm1      4.512 ppm2      8.273 CV     1
  ASSI {  251}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 13   and name HN  ))
       3.800     1.800     1.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.29736E-03 ppm1      4.514 ppm2      8.067 CV     1
  ASSI {  252}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 30   and name HD22))
       5.000     3.200     1.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.17952E-03 ppm1      4.516 ppm2      7.245 CV     1
  ASSI {  253}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 46   and name HE1 ))
       4.800     2.900     1.200 peak   253 spectrum    1 weight  0.10000E+01 volume  0.85115E-04 ppm1      4.507 ppm2      8.730 CV     1
  ASSI {  256}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 48   and name HN  ))
       2.800     0.900     0.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.13567E-02 ppm1      4.509 ppm2      8.163 CV     1
  ASSI {  261}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       4.500     2.500     1.500 peak   261 spectrum    1 weight  0.10000E+01 volume  0.16949E-03 ppm1      4.482 ppm2      7.344 CV     1
  ASSI {  266}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 27   and name HD22))
       4.300     2.300     1.700 peak   266 spectrum    1 weight  0.10000E+01 volume  0.22711E-03 ppm1      4.458 ppm2      6.294 CV     1
  ASSI {  268}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 12   and name HN  ))
       3.100     1.200     1.200 peak   268 spectrum    1 weight  0.10000E+01 volume  0.75454E-03 ppm1      4.456 ppm2      8.594 CV     1
  ASSI {  270}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 8    and name HN  ))
       3.100     1.200     1.200 peak   270 spectrum    1 weight  0.10000E+01 volume  0.79171E-03 ppm1      4.437 ppm2      8.514 CV     1
  ASSI {  271}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 34   and name HE21))
       4.700     2.800     1.300 peak   271 spectrum    1 weight  0.10000E+01 volume  0.76197E-04 ppm1      4.433 ppm2      7.945 CV     1
  ASSI {  272}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 34   and name HE22))
       5.300     3.600     0.700 peak   272 spectrum    1 weight  0.10000E+01 volume  0.32746E-04 ppm1      4.436 ppm2      6.906 CV     1
  ASSI {  273}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 46   and name HE1 ))
       2.700     0.900     0.900 peak   273 spectrum    1 weight  0.10000E+01 volume  0.18287E-02 ppm1      4.392 ppm2      8.730 CV     1
  ASSI {  274}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 50   and name HN  ))
       2.900     1.100     1.100 peak   274 spectrum    1 weight  0.10000E+01 volume  0.11039E-02 ppm1      4.392 ppm2      8.383 CV     1
  ASSI {  277}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       3.000     1.100     1.100 peak   277 spectrum    1 weight  0.10000E+01 volume  0.11225E-02 ppm1      4.372 ppm2      8.279 CV     1
  ASSI {  280}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
       2.900     1.100     1.100 peak   280 spectrum    1 weight  0.10000E+01 volume  0.13084E-02 ppm1      4.363 ppm2      7.706 CV     1
  ASSI {  288}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 14   and name HE1 ))
       4.600     2.700     1.400 peak   288 spectrum    1 weight  0.10000E+01 volume  0.11560E-03 ppm1      3.395 ppm2     10.306 CV     1
  ASSI {  290}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 14   and name HE1 ))
       5.700     4.000     0.300 peak   290 spectrum    1 weight  0.10000E+01 volume  0.31000E-04 ppm1      4.522 ppm2     10.315 CV     1
  ASSI {  293}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 20   and name HN  ))
       2.900     1.100     1.100 peak   293 spectrum    1 weight  0.10000E+01 volume  0.12452E-02 ppm1      3.945 ppm2      9.787 CV     1
  ASSI {  299}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 26   and name HN  ))
       3.200     1.300     1.300 peak   299 spectrum    1 weight  0.10000E+01 volume  0.53524E-03 ppm1      4.275 ppm2      9.306 CV     1
  ASSI {  301}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 30   and name HN  ))
       4.800     2.800     1.200 peak   301 spectrum    1 weight  0.10000E+01 volume  0.96266E-04 ppm1      4.280 ppm2      8.629 CV     1
  ASSI {  302}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 14   and name HE3 ))
       3.200     3.200     2.800 peak   302 spectrum    1 weight  0.10000E+01 volume  0.10185E-02 ppm1      4.276 ppm2      7.773 CV     1
  ASSI {  303}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 27   and name HN  ))
       4.100     2.100     1.900 peak   303 spectrum    1 weight  0.10000E+01 volume  0.19105E-03 ppm1      4.278 ppm2      7.342 CV     1
  ASSI {  304}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 30   and name HD22))
       3.500     1.600     1.600 peak   304 spectrum    1 weight  0.10000E+01 volume  0.37913E-03 ppm1      4.277 ppm2      7.248 CV     1
  ASSI {  305}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 14   and name HH2 ))
       5.200     3.400     0.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.45347E-04 ppm1      4.279 ppm2      7.148 CV     1
  ASSI {  306}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 14   and name HZ3 ))
       3.600     1.600     1.600 peak   306 spectrum    1 weight  0.10000E+01 volume  0.42373E-03 ppm1      4.277 ppm2      7.063 CV     1
  ASSI {  307}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 30   and name HD21))
       4.200     2.200     1.800 peak   307 spectrum    1 weight  0.10000E+01 volume  0.15054E-03 ppm1      4.274 ppm2      7.456 CV     1
  ASSI {  313}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 15   and name HN  ))
       5.000     3.100     1.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.63931E-04 ppm1      4.209 ppm2      8.963 CV     1
  ASSI {  314}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 13   and name HN  ))
       3.000     1.100     1.100 peak   314 spectrum    1 weight  0.10000E+01 volume  0.95522E-03 ppm1      4.207 ppm2      8.064 CV     1
  ASSI {  322}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
       3.100     1.200     1.200 peak   322 spectrum    1 weight  0.10000E+01 volume  0.77684E-03 ppm1      4.185 ppm2      8.359 CV     1
  ASSI {  323}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 48   and name HN  ))
       2.700     0.900     0.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.16391E-02 ppm1      4.184 ppm2      8.165 CV     1
  ASSI {  326}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 45   and name HN  ))
       4.400     2.500     1.600 peak   326 spectrum    1 weight  0.10000E+01 volume  0.12006E-03 ppm1      4.131 ppm2      9.197 CV     1
  ASSI {  328}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 24   and name HN  ))
       2.700     0.900     0.900 peak   328 spectrum    1 weight  0.10000E+01 volume  0.16317E-02 ppm1      4.103 ppm2      8.219 CV     1
  ASSI {  329}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 14   and name HZ2 ))
       4.900     3.000     1.100 peak   329 spectrum    1 weight  0.10000E+01 volume  0.80658E-04 ppm1      4.093 ppm2      7.449 CV     1
  ASSI {  332}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 15   and name HN  ))
       3.800     1.800     1.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.22227E-03 ppm1      4.089 ppm2      8.961 CV     1
  ASSI {  333}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       4.400     2.400     1.600 peak   333 spectrum    1 weight  0.10000E+01 volume  0.10221E-03 ppm1      4.089 ppm2      7.340 CV     1
  ASSI {  337}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 33   and name HN  ))
       3.100     1.200     1.200 peak   337 spectrum    1 weight  0.10000E+01 volume  0.74711E-03 ppm1      4.037 ppm2      7.980 CV     1
  ASSI {  340}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       2.300     2.300     3.700 peak   340 spectrum    1 weight  0.10000E+01 volume  0.53152E-02 ppm1      3.996 ppm2      7.649 CV     1
  ASSI {  343}
    (( segid "    " and resid 28   and name HD2 ))
    (( segid "    " and resid 15   and name HN  ))
       4.500     2.500     1.500 peak   343 spectrum    1 weight  0.10000E+01 volume  0.11336E-03 ppm1      3.984 ppm2      8.961 CV     1
  ASSI {  346}
    (( segid "    " and resid 28   and name HD2 ))
    (  segid "    " and resid 15   and name HD% )
       3.400     1.400     1.400 peak   346 spectrum    1 weight  0.10000E+01 volume  0.40143E-03 ppm1      3.981 ppm2      7.086 CV     1
  ASSI {  350}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 45   and name HN  ))
       4.800     2.900     1.200 peak   350 spectrum    1 weight  0.10000E+01 volume  0.84371E-04 ppm1      3.942 ppm2      9.192 CV     1
  ASSI {  353}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 37   and name HE22))
       3.700     1.700     1.700 peak   353 spectrum    1 weight  0.10000E+01 volume  0.38656E-03 ppm1      3.889 ppm2      6.951 CV     1
  ASSI {  354}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       5.200     3.400     0.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.50179E-04 ppm1      3.883 ppm2      8.671 CV     1
  ASSI {  358}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       4.200     2.200     1.800 peak   358 spectrum    1 weight  0.10000E+01 volume  0.21075E-03 ppm1      3.842 ppm2      8.449 CV     1
  ASSI {  359}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
       3.200     1.300     1.300 peak   359 spectrum    1 weight  0.10000E+01 volume  0.72108E-03 ppm1      3.843 ppm2      7.762 CV     1
  ASSI {  361}
    (( segid "    " and resid 40   and name HD3 ))
    (( segid "    " and resid 39   and name HN  ))
       5.600     3.900     0.400 peak   361 spectrum    1 weight  0.10000E+01 volume  0.22079E-04 ppm1      3.835 ppm2      7.828 CV     1
  ASSI {  363}
    (( segid "    " and resid 46   and name HB3 ))
    (( segid "    " and resid 46   and name HE1 ))
       5.300     3.600     0.700 peak   363 spectrum    1 weight  0.10000E+01 volume  0.47949E-04 ppm1      3.826 ppm2      8.729 CV     1
  ASSI {  364}
    (( segid "    " and resid 46   and name HB3 ))
    (( segid "    " and resid 46   and name HD2 ))
       3.100     1.200     1.200 peak   364 spectrum    1 weight  0.10000E+01 volume  0.84003E-03 ppm1      3.815 ppm2      7.216 CV     1
  OR {  364}
    (( segid "    " and resid 46   and name HB3 ))
    (( segid "    " and resid 46   and name HN  ))
  ASSI {  368}
    (( segid "    " and resid 28   and name HA  ))
    (  segid "    " and resid 31   and name HD% )
       3.700     1.700     1.700 peak   368 spectrum    1 weight  0.10000E+01 volume  0.33712E-03 ppm1      4.214 ppm2      6.738 CV     1
  ASSI {  376}
    (( segid "    " and resid 20   and name HB3 ))
    (  segid "    " and resid 31   and name HE% )
       2.800     2.800     3.200 peak   376 spectrum    1 weight  0.10000E+01 volume  0.19254E-02 ppm1      3.941 ppm2      6.890 CV     1
  ASSI {  380}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       3.700     1.700     1.700 peak   380 spectrum    1 weight  0.10000E+01 volume  0.34976E-03 ppm1      3.771 ppm2      7.720 CV     1
  ASSI {  382}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 14   and name HH2 ))
       3.800     1.800     1.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.27542E-03 ppm1      3.693 ppm2      7.148 CV     1
  ASSI {  383}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 14   and name HZ3 ))
       3.100     1.200     1.200 peak   383 spectrum    1 weight  0.10000E+01 volume  0.89582E-03 ppm1      3.693 ppm2      7.060 CV     1
  ASSI {  388}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 45   and name HN  ))
       2.400     0.700     0.700 peak   388 spectrum    1 weight  0.10000E+01 volume  0.35422E-02 ppm1      3.476 ppm2      9.199 CV     1
  ASSI {  389}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 19   and name HN  ))
       4.600     2.700     1.400 peak   389 spectrum    1 weight  0.10000E+01 volume  0.12080E-03 ppm1      3.474 ppm2      9.680 CV     1
  ASSI {  392}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 25   and name HN  ))
       4.500     2.500     1.500 peak   392 spectrum    1 weight  0.10000E+01 volume  0.97755E-04 ppm1      3.695 ppm2      9.533 CV     1
  ASSI {  394}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 15   and name HN  ))
       4.400     2.500     1.600 peak   394 spectrum    1 weight  0.10000E+01 volume  0.10296E-03 ppm1      3.693 ppm2      8.964 CV     1
  ASSI {  396}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 43   and name HN  ))
       4.100     2.100     1.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.10816E-03 ppm1      3.481 ppm2      8.832 CV     1
  ASSI {  399}
    (( segid "    " and resid 44   and name HA  ))
    (  segid "    " and resid 31   and name HE% )
       3.700     1.700     1.700 peak   399 spectrum    1 weight  0.10000E+01 volume  0.23751E-03 ppm1      3.476 ppm2      6.905 CV     1
  ASSI {  400}
    (( segid "    " and resid 44   and name HA  ))
    (  segid "    " and resid 31   and name HD% )
       4.700     2.800     1.300 peak   400 spectrum    1 weight  0.10000E+01 volume  0.44603E-04 ppm1      3.475 ppm2      6.736 CV     1
  ASSI {  401}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 31   and name HZ  ))
       4.200     2.200     1.800 peak   401 spectrum    1 weight  0.10000E+01 volume  0.14199E-03 ppm1      3.477 ppm2      6.670 CV     1
  ASSI {  403}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 15   and name HN  ))
       4.300     2.300     1.700 peak   403 spectrum    1 weight  0.10000E+01 volume  0.16391E-03 ppm1      3.387 ppm2      8.964 CV     1
  ASSI {  405}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 30   and name HN  ))
       2.900     1.100     1.100 peak   405 spectrum    1 weight  0.10000E+01 volume  0.97011E-03 ppm1      3.388 ppm2      8.660 CV     1
  ASSI {  406}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 29   and name HN  ))
       2.100     0.600     0.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.74711E-02 ppm1      3.388 ppm2      8.275 CV     1
  ASSI {  409}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 14   and name HE3 ))
       4.200     2.200     1.800 peak   409 spectrum    1 weight  0.10000E+01 volume  0.43116E-03 ppm1      3.391 ppm2      7.773 CV     1
  ASSI {  411}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 12   and name HN  ))
       5.200     3.400     0.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.39028E-04 ppm1      3.335 ppm2      8.605 CV     1
  ASSI {  414}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 11   and name HN  ))
       3.000     1.100     1.100 peak   414 spectrum    1 weight  0.10000E+01 volume  0.12006E-02 ppm1      3.316 ppm2      8.280 CV     1
  ASSI {  417}
    (( segid "    " and resid 12   and name HD3 ))
    (( segid "    " and resid 12   and name HN  ))
       4.800     2.800     1.200 peak   417 spectrum    1 weight  0.10000E+01 volume  0.99989E-04 ppm1      3.254 ppm2      8.595 CV     1
  ASSI {  418}
    (( segid "    " and resid 12   and name HD3 ))
    (( segid "    " and resid 12   and name HE  ))
       4.900     2.900     1.100 peak   418 spectrum    1 weight  0.10000E+01 volume  0.52037E-04 ppm1      3.256 ppm2      7.300 CV     1
  ASSI {  421}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       3.300     1.300     1.300 peak   421 spectrum    1 weight  0.10000E+01 volume  0.57985E-03 ppm1      3.211 ppm2      7.853 CV     1
  ASSI {  422}
    (( segid "    " and resid 31   and name HA  ))
    (  segid "    " and resid 31   and name HE% )
       4.900     2.900     1.100 peak   422 spectrum    1 weight  0.10000E+01 volume  0.74711E-04 ppm1      3.215 ppm2      6.907 CV     1
  ASSI {  424}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       4.600     2.600     1.400 peak   424 spectrum    1 weight  0.10000E+01 volume  0.91807E-04 ppm1      3.210 ppm2      7.977 CV     1
  ASSI {  426}
    (( segid "    " and resid 31   and name HA  ))
    (  segid "    " and resid 31   and name HD% )
       2.900     1.000     1.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.10965E-02 ppm1      3.210 ppm2      6.738 CV     1
  ASSI {  427}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HN  ))
       3.000     1.100     1.100 peak   427 spectrum    1 weight  0.10000E+01 volume  0.12489E-02 ppm1      3.198 ppm2      8.837 CV     1
  ASSI {  428}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HE3 ))
       3.100     1.200     1.200 peak   428 spectrum    1 weight  0.10000E+01 volume  0.77312E-03 ppm1      3.197 ppm2      7.774 CV     1
  ASSI {  431}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 27   and name HN  ))
       4.000     2.000     2.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.22934E-03 ppm1      3.160 ppm2      7.342 CV     1
  ASSI {  433}
    (( segid "    " and resid 50   and name HB3 ))
    (( segid "    " and resid 46   and name HE1 ))
       4.400     2.400     1.600 peak   433 spectrum    1 weight  0.10000E+01 volume  0.15760E-03 ppm1      3.149 ppm2      8.729 CV     1
  ASSI {  434}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 34   and name HE21))
       2.700     0.900     0.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.16355E-02 ppm1      3.081 ppm2      7.984 CV     1
  ASSI {  438}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 30   and name HN  ))
       2.400     0.700     0.700 peak   438 spectrum    1 weight  0.10000E+01 volume  0.40886E-02 ppm1      3.051 ppm2      8.662 CV     1
  ASSI {  440}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 26   and name HN  ))
       3.700     1.700     1.700 peak   440 spectrum    1 weight  0.10000E+01 volume  0.23045E-03 ppm1      3.045 ppm2      9.307 CV     1
  ASSI {  442}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 22   and name HN  ))
       4.500     2.500     1.500 peak   442 spectrum    1 weight  0.10000E+01 volume  0.98868E-04 ppm1      3.043 ppm2      8.449 CV     1
  ASSI {  443}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 38   and name HN  ))
       3.200     1.300     1.300 peak   443 spectrum    1 weight  0.10000E+01 volume  0.10407E-02 ppm1      3.045 ppm2      7.710 CV     1
  ASSI {  444}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 30   and name HD21))
       3.600     1.600     1.600 peak   444 spectrum    1 weight  0.10000E+01 volume  0.35162E-03 ppm1      3.046 ppm2      7.458 CV     1
  ASSI {  447}
    (( segid "    " and resid 30   and name HB3 ))
    (  segid "    " and resid 25   and name HD% )
       3.000     3.000     3.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.71366E-03 ppm1      3.045 ppm2      7.044 CV     1
  ASSI {  450}
    (( segid "    " and resid 4    and name HB3 ))
    (( segid "    " and resid 4    and name HN  ))
       2.700     0.900     0.900 peak   450 spectrum    1 weight  0.10000E+01 volume  0.19180E-02 ppm1      3.011 ppm2      8.361 CV     1
  ASSI {  451}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 32   and name HN  ))
       2.700     0.900     0.900 peak   451 spectrum    1 weight  0.10000E+01 volume  0.17024E-02 ppm1      3.000 ppm2      8.666 CV     1
  ASSI {  453}
    (( segid "    " and resid 31   and name HB3 ))
    (  segid "    " and resid 31   and name HD% )
       2.500     2.500     3.500 peak   453 spectrum    1 weight  0.10000E+01 volume  0.21484E-02 ppm1      2.998 ppm2      6.738 CV     1
  ASSI {  455}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 15   and name HN  ))
       4.000     2.000     2.000 peak   455 spectrum    1 weight  0.10000E+01 volume  0.43488E-03 ppm1      2.971 ppm2      8.961 CV     1
  ASSI {  458}
    (( segid "    " and resid 15   and name HB3 ))
    (  segid "    " and resid 15   and name HD% )
       3.200     1.300     1.300 peak   458 spectrum    1 weight  0.10000E+01 volume  0.66905E-03 ppm1      2.970 ppm2      7.087 CV     1
  ASSI {  460}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 26   and name HN  ))
       2.600     2.600     3.400 peak   460 spectrum    1 weight  0.10000E+01 volume  0.26911E-02 ppm1      2.877 ppm2      9.306 CV     1
  ASSI {  463}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 27   and name HN  ))
       3.000     3.000     3.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.96266E-03 ppm1      2.874 ppm2      7.343 CV     1
  ASSI {  464}
    (( segid "    " and resid 25   and name HB3 ))
    (  segid "    " and resid 31   and name HD% )
       3.100     1.200     1.200 peak   464 spectrum    1 weight  0.10000E+01 volume  0.12564E-02 ppm1      2.872 ppm2      6.737 CV     1
  ASSI {  465}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 25   and name HN  ))
       2.000     0.500     0.500 peak   465 spectrum    1 weight  0.10000E+01 volume  0.10891E-01 ppm1      2.871 ppm2      9.531 CV     1
  ASSI {  470}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 25   and name HN  ))
       2.500     0.800     0.800 peak   470 spectrum    1 weight  0.10000E+01 volume  0.26799E-02 ppm1      2.819 ppm2      9.530 CV     1
  ASSI {  473}
    (( segid "    " and resid 25   and name HB2 ))
    (  segid "    " and resid 31   and name HD% )
       2.600     2.600     3.400 peak   473 spectrum    1 weight  0.10000E+01 volume  0.17730E-02 ppm1      2.816 ppm2      6.737 CV     1
  ASSI {  481}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 23   and name HN  ))
       4.700     2.800     1.300 peak   481 spectrum    1 weight  0.10000E+01 volume  0.11931E-03 ppm1      2.736 ppm2      7.770 CV     1
  ASSI {  485}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 21   and name HN  ))
       3.000     1.100     1.100 peak   485 spectrum    1 weight  0.10000E+01 volume  0.11411E-02 ppm1      2.718 ppm2      8.817 CV     1
  ASSI {  489}
    (( segid "    " and resid 3    and name HB2 ))
    (( segid "    " and resid 4    and name HN  ))
       3.600     1.700     1.700 peak   489 spectrum    1 weight  0.10000E+01 volume  0.53524E-03 ppm1      2.656 ppm2      8.362 CV     1
  ASSI {  492}
    (( segid "    " and resid 50   and name HB2 ))
    (( segid "    " and resid 23   and name HN  ))
       6.000     4.400     0.000 peak   492 spectrum    1 weight  0.10000E+01 volume  0.16020E-04 ppm1      2.585 ppm2      7.772 CV     1
  ASSI {  493}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 27   and name HN  ))
       4.600     2.600     1.400 peak   493 spectrum    1 weight  0.10000E+01 volume  0.82888E-04 ppm1      2.581 ppm2      7.349 CV     1
  ASSI {  494}
    (( segid "    " and resid 50   and name HB2 ))
    (( segid "    " and resid 25   and name HN  ))
       4.600     2.700     1.400 peak   494 spectrum    1 weight  0.10000E+01 volume  0.13492E-03 ppm1      2.577 ppm2      9.528 CV     1
  ASSI {  495}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 32   and name HN  ))
       4.000     2.000     2.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.54267E-03 ppm1      2.574 ppm2      8.667 CV     1
  ASSI {  496}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HN  ))
       2.900     1.000     1.000 peak   496 spectrum    1 weight  0.10000E+01 volume  0.12229E-02 ppm1      2.575 ppm2      7.853 CV     1
  ASSI {  497}
    (( segid "    " and resid 31   and name HB2 ))
    (  segid "    " and resid 25   and name HD% )
       3.500     1.500     1.500 peak   497 spectrum    1 weight  0.10000E+01 volume  0.33304E-03 ppm1      2.575 ppm2      7.041 CV     1
  ASSI {  498}
    (( segid "    " and resid 31   and name HB2 ))
    (  segid "    " and resid 31   and name HD% )
       2.600     0.800     0.800 peak   498 spectrum    1 weight  0.10000E+01 volume  0.20629E-02 ppm1      2.573 ppm2      6.737 CV     1
  ASSI {  499}
    (( segid "    " and resid 31   and name HB2 ))
    (  segid "    " and resid 31   and name HE% )
       4.400     2.400     1.600 peak   499 spectrum    1 weight  0.10000E+01 volume  0.14645E-03 ppm1      2.571 ppm2      6.905 CV     1
  ASSI {  503}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 14   and name HN  ))
       3.400     1.400     1.400 peak   503 spectrum    1 weight  0.10000E+01 volume  0.49435E-03 ppm1      3.583 ppm2      8.848 CV     1
  ASSI {  504}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 37   and name HE21))
       4.000     2.000     2.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.15909E-03 ppm1      3.584 ppm2      7.984 CV     1
  ASSI {  506}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       6.000     6.000     0.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.32375E-05 ppm1      3.587 ppm2      7.650 CV     1
  ASSI {  507}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 29   and name HN  ))
       4.800     2.800     1.200 peak   507 spectrum    1 weight  0.10000E+01 volume  0.11374E-03 ppm1      3.564 ppm2      8.285 CV     1
  ASSI {  508}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 15   and name HN  ))
       2.900     1.100     1.100 peak   508 spectrum    1 weight  0.10000E+01 volume  0.98131E-03 ppm1      3.562 ppm2      8.961 CV     1
  ASSI {  509}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 27   and name HN  ))
       4.200     2.200     1.800 peak   509 spectrum    1 weight  0.10000E+01 volume  0.12415E-03 ppm1      3.560 ppm2      7.344 CV     1
  ASSI {  510}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 27   and name HD22))
       3.600     1.700     1.700 peak   510 spectrum    1 weight  0.10000E+01 volume  0.23714E-03 ppm1      3.391 ppm2      6.293 CV     1
  ASSI {  511}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 27   and name HD22))
       3.600     1.600     1.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.26687E-03 ppm1      3.315 ppm2      6.293 CV     1
  ASSI {  512}
    (( segid "    " and resid 12   and name HD3 ))
    (( segid "    " and resid 27   and name HD22))
       4.000     2.000     2.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.25721E-03 ppm1      3.261 ppm2      6.329 CV     1
  ASSI {  514}
    (( segid "    " and resid 29   and name HB2 ))
    (( segid "    " and resid 27   and name HD22))
       5.300     3.500     0.700 peak   514 spectrum    1 weight  0.10000E+01 volume  0.46462E-04 ppm1      3.071 ppm2      6.290 CV     1
  ASSI {  517}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
       3.200     1.300     1.300 peak   517 spectrum    1 weight  0.10000E+01 volume  0.57985E-03 ppm1      2.463 ppm2      7.825 CV     1
  ASSI {  521}
    (( segid "    " and resid 36   and name HG3 ))
    (( segid "    " and resid 37   and name HN  ))
       2.700     0.900     0.900 peak   521 spectrum    1 weight  0.10000E+01 volume  0.17544E-02 ppm1      2.454 ppm2      7.649 CV     1
  ASSI {  524}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 41   and name HD22))
       3.300     1.300     1.300 peak   524 spectrum    1 weight  0.10000E+01 volume  0.10407E-02 ppm1      2.386 ppm2      7.450 CV     1
  ASSI {  527}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 50   and name HN  ))
       3.500     1.500     1.500 peak   527 spectrum    1 weight  0.10000E+01 volume  0.10147E-02 ppm1      2.378 ppm2      8.384 CV     1
  ASSI {  529}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 25   and name HN  ))
       3.200     1.300     1.300 peak   529 spectrum    1 weight  0.10000E+01 volume  0.13381E-02 ppm1      2.365 ppm2      9.541 CV     1
  ASSI {  530}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 19   and name HN  ))
       4.000     2.000     2.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.23417E-03 ppm1      2.350 ppm2      9.680 CV     1
  ASSI {  531}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 46   and name HE1 ))
       3.300     1.300     1.300 peak   531 spectrum    1 weight  0.10000E+01 volume  0.69878E-03 ppm1      2.350 ppm2      8.729 CV     1
  ASSI {  537}
    (( segid "    " and resid 13   and name HG2 ))
    (( segid "    " and resid 15   and name HN  ))
       4.700     2.700     1.300 peak   537 spectrum    1 weight  0.10000E+01 volume  0.73967E-04 ppm1      2.247 ppm2      8.962 CV     1
  ASSI {  543}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 37   and name HN  ))
       4.300     2.400     1.700 peak   543 spectrum    1 weight  0.10000E+01 volume  0.11300E-03 ppm1      2.228 ppm2      7.650 CV     1
  ASSI {  544}
    (( segid "    " and resid 23   and name HB  ))
    (( segid "    " and resid 19   and name HN  ))
       4.600     2.600     1.400 peak   544 spectrum    1 weight  0.10000E+01 volume  0.90318E-04 ppm1      2.224 ppm2      9.679 CV     1
  ASSI {  551}
    (( segid "    " and resid 49   and name HB3 ))
    (( segid "    " and resid 49   and name HN  ))
       3.000     1.100     1.100 peak   551 spectrum    1 weight  0.10000E+01 volume  0.95898E-03 ppm1      2.187 ppm2      8.234 CV     1
  ASSI {  559}
    (( segid "    " and resid 35   and name HG3 ))
    (  segid "    " and resid 31   and name HD% )
       4.500     2.600     1.500 peak   559 spectrum    1 weight  0.10000E+01 volume  0.13121E-03 ppm1      2.165 ppm2      6.720 CV     1
  ASSI {  560}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 35   and name HE22))
       2.700     0.900     0.900 peak   560 spectrum    1 weight  0.10000E+01 volume  0.27580E-02 ppm1      2.153 ppm2      7.059 CV     1
  ASSI {  561}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 31   and name HZ  ))
       4.800     2.900     1.200 peak   561 spectrum    1 weight  0.10000E+01 volume  0.72108E-04 ppm1      2.158 ppm2      6.675 CV     1
  ASSI {  570}
    (( segid "    " and resid 36   and name HB3 ))
    (( segid "    " and resid 36   and name HN  ))
       4.300     2.300     1.700 peak   570 spectrum    1 weight  0.10000E+01 volume  0.10333E-03 ppm1      2.082 ppm2      8.231 CV     1
  ASSI {  580}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 13   and name HN  ))
       2.600     0.800     0.800 peak   580 spectrum    1 weight  0.10000E+01 volume  0.23826E-02 ppm1      2.006 ppm2      8.064 CV     1
  ASSI {  581}
    (( segid "    " and resid 13   and name HB3 ))
    (  segid "    " and resid 15   and name HD% )
       3.100     1.200     1.200 peak   581 spectrum    1 weight  0.10000E+01 volume  0.63560E-03 ppm1      2.004 ppm2      7.081 CV     1
  ASSI {  583}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 27   and name HD22))
       4.400     2.500     1.600 peak   583 spectrum    1 weight  0.10000E+01 volume  0.18845E-03 ppm1      2.007 ppm2      6.292 CV     1
  ASSI {  586}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 35   and name HE21))
       3.200     1.300     1.300 peak   586 spectrum    1 weight  0.10000E+01 volume  0.58356E-03 ppm1      1.993 ppm2      7.721 CV     1
  ASSI {  588}
    (( segid "    " and resid 49   and name HB2 ))
    (( segid "    " and resid 50   and name HN  ))
       3.300     1.400     1.400 peak   588 spectrum    1 weight  0.10000E+01 volume  0.53896E-03 ppm1      1.982 ppm2      8.382 CV     1
  ASSI {  590}
    (( segid "    " and resid 42   and name HB  ))
    (( segid "    " and resid 43   and name HN  ))
       2.400     0.700     0.700 peak   590 spectrum    1 weight  0.10000E+01 volume  0.33639E-02 ppm1      1.957 ppm2      8.844 CV     1
  ASSI {  592}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 37   and name HN  ))
       2.700     2.700     3.300 peak   592 spectrum    1 weight  0.10000E+01 volume  0.25126E-02 ppm1      1.961 ppm2      7.649 CV     1
  ASSI {  594}
    (( segid "    " and resid 42   and name HB  ))
    (( segid "    " and resid 20   and name HN  ))
       3.900     1.900     1.900 peak   594 spectrum    1 weight  0.10000E+01 volume  0.19402E-03 ppm1      1.953 ppm2      9.786 CV     1
  ASSI {  598}
    (( segid "    " and resid 42   and name HB  ))
    (( segid "    " and resid 31   and name HZ  ))
       4.100     2.100     1.900 peak   598 spectrum    1 weight  0.10000E+01 volume  0.20183E-03 ppm1      1.948 ppm2      6.672 CV     1
  ASSI {  599}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 35   and name HE22))
       4.800     2.900     1.200 peak   599 spectrum    1 weight  0.10000E+01 volume  0.11745E-03 ppm1      1.888 ppm2      7.021 CV     1
  ASSI {  602}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 37   and name HN  ))
       3.900     1.900     1.900 peak   602 spectrum    1 weight  0.10000E+01 volume  0.26354E-03 ppm1      1.878 ppm2      7.652 CV     1
  ASSI {  606}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 34   and name HN  ))
       5.500     3.800     0.500 peak   606 spectrum    1 weight  0.10000E+01 volume  0.59471E-04 ppm1      1.871 ppm2      7.183 CV     1
  ASSI {  607}
    (( segid "    " and resid 35   and name HB3 ))
    (  segid "    " and resid 31   and name HE% )
       4.600     2.700     1.400 peak   607 spectrum    1 weight  0.10000E+01 volume  0.89950E-04 ppm1      1.855 ppm2      6.896 CV     1
  ASSI {  609}
    (  segid "    " and resid 47   and name HE% )
    (  segid "    " and resid 15   and name HD% )
       3.600     3.600     2.400 peak   609 spectrum    1 weight  0.10000E+01 volume  0.25572E-03 ppm1      1.841 ppm2      7.087 CV     1
  ASSI {  611}
    (  segid "    " and resid 47   and name HE% )
    (( segid "    " and resid 47   and name HN  ))
       5.100     3.300     0.900 peak   611 spectrum    1 weight  0.10000E+01 volume  0.60215E-04 ppm1      1.839 ppm2      9.106 CV     1
  ASSI {  612}
    (( segid "    " and resid 7    and name HB3 ))
    (( segid "    " and resid 8    and name HN  ))
       6.000     5.500     0.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.13604E-04 ppm1      1.806 ppm2      8.514 CV     1
  ASSI {  613}
    (( segid "    " and resid 17   and name HB  ))
    (( segid "    " and resid 25   and name HN  ))
       4.400     2.400     1.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.11969E-03 ppm1      1.781 ppm2      9.533 CV     1
  ASSI {  614}
    (( segid "    " and resid 17   and name HB  ))
    (( segid "    " and resid 48   and name HN  ))
       6.000     5.400     0.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.14087E-04 ppm1      1.781 ppm2      8.165 CV     1
  ASSI {  615}
    (( segid "    " and resid 17   and name HB  ))
    (  segid "    " and resid 25   and name HD% )
       4.800     2.800     1.200 peak   615 spectrum    1 weight  0.10000E+01 volume  0.66905E-04 ppm1      1.783 ppm2      7.036 CV     1
  ASSI {  617}
    (( segid "    " and resid 17   and name HB  ))
    (( segid "    " and resid 17   and name HN  ))
       3.200     1.300     1.300 peak   617 spectrum    1 weight  0.10000E+01 volume  0.84003E-03 ppm1      1.772 ppm2      8.358 CV     1
  ASSI {  629}
    (( segid "    " and resid 7    and name HG3 ))
    (( segid "    " and resid 7    and name HN  ))
       3.700     1.700     1.700 peak   629 spectrum    1 weight  0.10000E+01 volume  0.36649E-03 ppm1      1.643 ppm2      8.770 CV     1
  ASSI {  633}
    (( segid "    " and resid 42   and name HG13))
    (( segid "    " and resid 31   and name HZ  ))
       3.700     1.700     1.700 peak   633 spectrum    1 weight  0.10000E+01 volume  0.23826E-03 ppm1      1.643 ppm2      6.672 CV     1
  ASSI {  636}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 9    and name HN  ))
       3.400     1.500     1.500 peak   636 spectrum    1 weight  0.10000E+01 volume  0.56870E-03 ppm1      1.604 ppm2      8.351 CV     1
  ASSI {  637}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 8    and name HN  ))
       3.200     1.300     1.300 peak   637 spectrum    1 weight  0.10000E+01 volume  0.89582E-03 ppm1      1.603 ppm2      8.514 CV     1
  ASSI {  640}
    (  segid "    " and resid 1    and name HB% )
    (( segid "    " and resid 2    and name HN  ))
       3.500     1.500     1.500 peak   640 spectrum    1 weight  0.10000E+01 volume  0.43116E-03 ppm1      1.562 ppm2      8.773 CV     1
  ASSI {  642}
    (( segid "    " and resid 44   and name HB  ))
    (( segid "    " and resid 31   and name HZ  ))
       5.200     3.300     0.800 peak   642 spectrum    1 weight  0.10000E+01 volume  0.59471E-04 ppm1      1.429 ppm2      6.671 CV     1
  ASSI {  644}
    (( segid "    " and resid 16   and name HG3 ))
    (( segid "    " and resid 15   and name HN  ))
       4.300     2.300     1.700 peak   644 spectrum    1 weight  0.10000E+01 volume  0.15425E-03 ppm1      1.418 ppm2      8.966 CV     1
  ASSI {  647}
    (( segid "    " and resid 16   and name HG3 ))
    (( segid "    " and resid 14   and name HZ2 ))
       3.000     1.200     1.200 peak   647 spectrum    1 weight  0.10000E+01 volume  0.92920E-03 ppm1      1.412 ppm2      7.451 CV     1
  ASSI {  648}
    (( segid "    " and resid 16   and name HG3 ))
    (( segid "    " and resid 14   and name HH2 ))
       4.200     2.200     1.800 peak   648 spectrum    1 weight  0.10000E+01 volume  0.18139E-03 ppm1      1.412 ppm2      7.149 CV     1
  ASSI {  650}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 18   and name HN  ))
       2.700     0.900     0.900 peak   650 spectrum    1 weight  0.10000E+01 volume  0.26354E-02 ppm1      1.388 ppm2      8.245 CV     1
  ASSI {  652}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 19   and name HN  ))
       4.400     2.400     1.600 peak   652 spectrum    1 weight  0.10000E+01 volume  0.19254E-03 ppm1      1.383 ppm2      9.680 CV     1
  ASSI {  653}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 46   and name HE1 ))
       4.100     2.100     1.900 peak   653 spectrum    1 weight  0.10000E+01 volume  0.14161E-03 ppm1      1.384 ppm2      8.729 CV     1
  ASSI {  655}
    (  segid "    " and resid 11   and name HG2%)
    (( segid "    " and resid 11   and name HN  ))
       2.900     1.000     1.000 peak   655 spectrum    1 weight  0.10000E+01 volume  0.16837E-02 ppm1      1.337 ppm2      8.280 CV     1
  ASSI {  656}
    (  segid "    " and resid 11   and name HG2%)
    (( segid "    " and resid 27   and name HD22))
       4.200     2.200     1.800 peak   656 spectrum    1 weight  0.10000E+01 volume  0.18547E-03 ppm1      1.338 ppm2      6.293 CV     1
  ASSI {  658}
    (  segid "    " and resid 9    and name HB% )
    (( segid "    " and resid 10   and name HN  ))
       3.300     1.300     1.300 peak   658 spectrum    1 weight  0.10000E+01 volume  0.96643E-03 ppm1      1.330 ppm2      8.114 CV     1
  ASSI {  660}
    (( segid "    " and resid 42   and name HG12))
    (( segid "    " and resid 20   and name HN  ))
       4.600     2.700     1.400 peak   660 spectrum    1 weight  0.10000E+01 volume  0.13121E-03 ppm1      1.320 ppm2      9.788 CV     1
  ASSI {  668}
    (( segid "    " and resid 42   and name HG12))
    (( segid "    " and resid 42   and name HN  ))
       3.200     1.300     1.300 peak   668 spectrum    1 weight  0.10000E+01 volume  0.53152E-03 ppm1      1.323 ppm2      7.259 CV     1
  ASSI {  671}
    (( segid "    " and resid 42   and name HG12))
    (( segid "    " and resid 31   and name HZ  ))
       3.700     1.700     1.700 peak   671 spectrum    1 weight  0.10000E+01 volume  0.56497E-03 ppm1      1.322 ppm2      6.672 CV     1
  ASSI {  672}
    (  segid "    " and resid 33   and name HB% )
    (( segid "    " and resid 33   and name HN  ))
       2.400     0.700     0.700 peak   672 spectrum    1 weight  0.10000E+01 volume  0.33601E-02 ppm1      1.318 ppm2      7.980 CV     1
  ASSI {  676}
    (  segid "    " and resid 43   and name HG2%)
    (( segid "    " and resid 44   and name HN  ))
       3.300     1.300     1.300 peak   676 spectrum    1 weight  0.10000E+01 volume  0.62073E-03 ppm1      1.173 ppm2      8.505 CV     1
  ASSI {  677}
    (  segid "    " and resid 45   and name HB% )
    (( segid "    " and resid 23   and name HN  ))
       4.100     2.100     1.900 peak   677 spectrum    1 weight  0.10000E+01 volume  0.16317E-03 ppm1      1.173 ppm2      7.725 CV     1
  ASSI {  680}
    (  segid "    " and resid 43   and name HG2%)
    (( segid "    " and resid 31   and name HZ  ))
       4.100     2.100     1.900 peak   680 spectrum    1 weight  0.10000E+01 volume  0.21892E-03 ppm1      1.172 ppm2      6.672 CV     1
  ASSI {  682}
    (  segid "    " and resid 45   and name HB% )
    (( segid "    " and resid 19   and name HN  ))
       4.600     2.600     1.400 peak   682 spectrum    1 weight  0.10000E+01 volume  0.77684E-04 ppm1      1.163 ppm2      9.685 CV     1
  ASSI {  684}
    (  segid "    " and resid 45   and name HB% )
    (( segid "    " and resid 18   and name HN  ))
       4.600     2.700     1.400 peak   684 spectrum    1 weight  0.10000E+01 volume  0.99989E-04 ppm1      1.163 ppm2      8.246 CV     1
  ASSI {  685}
    (  segid "    " and resid 45   and name HB% )
    (( segid "    " and resid 46   and name HN  ))
       2.500     0.800     0.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.29847E-02 ppm1      1.165 ppm2      7.230 CV     1
  OR {  685}
    (  segid "    " and resid 45   and name HB% )
    (( segid "    " and resid 46   and name HD2 ))
  ASSI {  687}
    (( segid "    " and resid 16   and name HD2 ))
    (( segid "    " and resid 14   and name HD1 ))
       3.100     1.200     1.200 peak   687 spectrum    1 weight  0.10000E+01 volume  0.17692E-02 ppm1      1.113 ppm2      7.240 CV     1
  ASSI {  688}
    (( segid "    " and resid 16   and name HD2 ))
    (( segid "    " and resid 14   and name HE1 ))
       3.900     1.900     1.900 peak   688 spectrum    1 weight  0.10000E+01 volume  0.45347E-03 ppm1      1.108 ppm2     10.307 CV     1
  ASSI {  689}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 19   and name HN  ))
       4.700     2.700     1.300 peak   689 spectrum    1 weight  0.10000E+01 volume  0.95522E-04 ppm1      1.091 ppm2      9.681 CV     1
  ASSI {  690}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 25   and name HN  ))
       3.100     1.200     1.200 peak   690 spectrum    1 weight  0.10000E+01 volume  0.97755E-03 ppm1      1.089 ppm2      9.530 CV     1
  ASSI {  691}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 50   and name HN  ))
       2.900     1.100     1.100 peak   691 spectrum    1 weight  0.10000E+01 volume  0.11820E-02 ppm1      1.089 ppm2      8.376 CV     1
  ASSI {  693}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 27   and name HN  ))
       5.300     3.500     0.700 peak   693 spectrum    1 weight  0.10000E+01 volume  0.39028E-04 ppm1      1.089 ppm2      7.346 CV     1
  ASSI {  696}
    (( segid "    " and resid 35   and name HB2 ))
    (  segid "    " and resid 31   and name HE% )
       4.100     2.100     1.900 peak   696 spectrum    1 weight  0.10000E+01 volume  0.16912E-03 ppm1      1.088 ppm2      6.903 CV     1
  ASSI {  697}
    (( segid "    " and resid 35   and name HB2 ))
    (  segid "    " and resid 31   and name HD% )
       5.100     3.300     0.900 peak   697 spectrum    1 weight  0.10000E+01 volume  0.34940E-04 ppm1      1.089 ppm2      6.740 CV     1
  ASSI {  698}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 26   and name HN  ))
       4.400     2.400     1.600 peak   698 spectrum    1 weight  0.10000E+01 volume  0.10110E-03 ppm1      1.084 ppm2      9.308 CV     1
  ASSI {  700}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 35   and name HN  ))
       2.600     0.800     0.800 peak   700 spectrum    1 weight  0.10000E+01 volume  0.19737E-02 ppm1      1.085 ppm2      7.719 CV     1
  ASSI {  701}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 31   and name HZ  ))
       4.700     2.700     1.300 peak   701 spectrum    1 weight  0.10000E+01 volume  0.10036E-03 ppm1      1.086 ppm2      6.674 CV     1
  ASSI {  703}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 14   and name HE1 ))
       4.300     2.300     1.700 peak   703 spectrum    1 weight  0.10000E+01 volume  0.13306E-03 ppm1      0.976 ppm2     10.311 CV     1
  ASSI {  704}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 14   and name HZ2 ))
       3.800     1.800     1.800 peak   704 spectrum    1 weight  0.10000E+01 volume  0.23937E-03 ppm1      0.974 ppm2      7.452 CV     1
  ASSI {  705}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 14   and name HH2 ))
       4.400     2.400     1.600 peak   705 spectrum    1 weight  0.10000E+01 volume  0.10110E-03 ppm1      0.979 ppm2      7.154 CV     1
  ASSI {  706}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 15   and name HN  ))
       5.100     3.200     0.900 peak   706 spectrum    1 weight  0.10000E+01 volume  0.42373E-04 ppm1      0.970 ppm2      8.955 CV     1
  ASSI {  708}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 49   and name HN  ))
       4.300     2.300     1.700 peak   708 spectrum    1 weight  0.10000E+01 volume  0.28026E-03 ppm1      0.972 ppm2      8.234 CV     1
  ASSI {  709}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 48   and name HN  ))
       6.000     4.500     0.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.30962E-04 ppm1      0.969 ppm2      8.158 CV     1
  ASSI {  711}
    (  segid "    " and resid 5    and name HG1%)
    (( segid "    " and resid 7    and name HN  ))
       3.800     1.800     1.800 peak   711 spectrum    1 weight  0.10000E+01 volume  0.29364E-03 ppm1      0.964 ppm2      8.772 CV     1
  ASSI {  713}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 14   and name HZ3 ))
       4.200     2.200     1.800 peak   713 spectrum    1 weight  0.10000E+01 volume  0.12935E-03 ppm1      0.964 ppm2      7.049 CV     1
  ASSI {  714}
    (  segid "    " and resid 42   and name HG2%)
    (( segid "    " and resid 35   and name HE21))
       3.800     1.800     1.800 peak   714 spectrum    1 weight  0.10000E+01 volume  0.37913E-03 ppm1      0.912 ppm2      7.723 CV     1
  ASSI {  715}
    (  segid "    " and resid 42   and name HG2%)
    (( segid "    " and resid 35   and name HE22))
       5.000     3.100     1.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.75826E-04 ppm1      0.913 ppm2      7.058 CV     1
  ASSI {  716}
    (  segid "    " and resid 42   and name HG2%)
    (( segid "    " and resid 20   and name HN  ))
       4.600     2.600     1.400 peak   716 spectrum    1 weight  0.10000E+01 volume  0.12564E-03 ppm1      0.911 ppm2      9.787 CV     1
  ASSI {  719}
    (  segid "    " and resid 42   and name HG2%)
    (( segid "    " and resid 39   and name HN  ))
       3.900     1.900     1.900 peak   719 spectrum    1 weight  0.10000E+01 volume  0.14236E-03 ppm1      0.912 ppm2      7.831 CV     1
  ASSI {  720}
    (  segid "    " and resid 42   and name HG2%)
    (( segid "    " and resid 42   and name HN  ))
       2.700     0.900     0.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.15760E-02 ppm1      0.911 ppm2      7.261 CV     1
  ASSI {  723}
    (( segid "    " and resid 35   and name HE21))
    (  segid "    " and resid 31   and name HE% )
       3.100     1.200     1.200 peak   723 spectrum    1 weight  0.10000E+01 volume  0.54267E-03 ppm1      7.723 ppm2      6.905 CV     1
  ASSI {  726}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 17   and name HN  ))
       3.300     1.400     1.400 peak   726 spectrum    1 weight  0.10000E+01 volume  0.57985E-03 ppm1      0.752 ppm2      8.361 CV     1
  ASSI {  727}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 14   and name HH2 ))
       4.400     2.400     1.600 peak   727 spectrum    1 weight  0.10000E+01 volume  0.15760E-03 ppm1      0.752 ppm2      7.146 CV     1
  ASSI {  729}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 14   and name HE1 ))
       4.700     2.800     1.300 peak   729 spectrum    1 weight  0.10000E+01 volume  0.12377E-03 ppm1      0.746 ppm2     10.308 CV     1
  ASSI {  730}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 14   and name HZ2 ))
       3.900     1.900     1.900 peak   730 spectrum    1 weight  0.10000E+01 volume  0.29810E-03 ppm1      0.748 ppm2      7.448 CV     1
  ASSI {  733}
    (  segid "    " and resid 23   and name HG1%)
    (( segid "    " and resid 22   and name HN  ))
       3.600     1.600     1.600 peak   733 spectrum    1 weight  0.10000E+01 volume  0.23268E-03 ppm1      0.709 ppm2      8.449 CV     1
  ASSI {  734}
    (  segid "    " and resid 23   and name HG1%)
    (( segid "    " and resid 24   and name HN  ))
       3.300     1.400     1.400 peak   734 spectrum    1 weight  0.10000E+01 volume  0.54639E-03 ppm1      0.711 ppm2      8.220 CV     1
  ASSI {  737}
    (  segid "    " and resid 23   and name HG1%)
    (( segid "    " and resid 19   and name HN  ))
       4.400     2.500     1.600 peak   737 spectrum    1 weight  0.10000E+01 volume  0.92920E-04 ppm1      0.703 ppm2      9.680 CV     1
  ASSI {  740}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 20   and name HN  ))
       4.200     2.200     1.800 peak   740 spectrum    1 weight  0.10000E+01 volume  0.13827E-03 ppm1      0.620 ppm2      9.788 CV     1
  ASSI {  744}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 17   and name HN  ))
       2.500     0.800     0.800 peak   744 spectrum    1 weight  0.10000E+01 volume  0.26354E-02 ppm1      0.625 ppm2      8.360 CV     1
  OR {  744}
    (  segid "    " and resid 17   and name HG1%)
    (( segid "    " and resid 17   and name HN  ))
  ASSI {  747}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 35   and name HE21))
       3.400     1.500     1.500 peak   747 spectrum    1 weight  0.10000E+01 volume  0.35162E-03 ppm1      0.623 ppm2      7.721 CV     1
  ASSI {  751}
    (  segid "    " and resid 42   and name HD1%)
    (  segid "    " and resid 31   and name HE% )
       2.500     0.800     0.800 peak   751 spectrum    1 weight  0.10000E+01 volume  0.25832E-02 ppm1      0.622 ppm2      6.904 CV     1
  ASSI {  753}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 31   and name HZ  ))
       3.200     1.300     1.300 peak   753 spectrum    1 weight  0.10000E+01 volume  0.94785E-03 ppm1      0.619 ppm2      6.671 CV     1
  ASSI {  754}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 19   and name HN  ))
       3.500     1.500     1.500 peak   754 spectrum    1 weight  0.10000E+01 volume  0.44975E-03 ppm1      0.588 ppm2      9.679 CV     1
  ASSI {  756}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 26   and name HN  ))
       5.100     3.200     0.900 peak   756 spectrum    1 weight  0.10000E+01 volume  0.52409E-04 ppm1      0.591 ppm2      9.312 CV     1
  ASSI {  758}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 17   and name HN  ))
       2.900     1.100     1.100 peak   758 spectrum    1 weight  0.10000E+01 volume  0.11336E-02 ppm1      0.587 ppm2      8.360 CV     1
  ASSI {  760}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 31   and name HN  ))
       3.600     1.600     1.600 peak   760 spectrum    1 weight  0.10000E+01 volume  0.39400E-03 ppm1      0.588 ppm2      7.853 CV     1
  ASSI {  761}
    (  segid "    " and resid 17   and name HG2%)
    (  segid "    " and resid 25   and name HD% )
       2.800     1.000     1.000 peak   761 spectrum    1 weight  0.10000E+01 volume  0.13232E-02 ppm1      0.588 ppm2      7.043 CV     1
  ASSI {  762}
    (  segid "    " and resid 17   and name HG2%)
    (  segid "    " and resid 31   and name HD% )
       2.600     2.600     3.400 peak   762 spectrum    1 weight  0.10000E+01 volume  0.19700E-02 ppm1      0.589 ppm2      6.738 CV     1
  ASSI {  763}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 45   and name HN  ))
       3.700     1.700     1.700 peak   763 spectrum    1 weight  0.10000E+01 volume  0.32337E-03 ppm1      0.585 ppm2      9.198 CV     1
  ASSI {  764}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 44   and name HN  ))
       3.100     3.100     2.900 peak   764 spectrum    1 weight  0.10000E+01 volume  0.12675E-02 ppm1      0.585 ppm2      8.505 CV     1
  ASSI {  768}
    (  segid "    " and resid 44   and name HG2%)
    (( segid "    " and resid 19   and name HN  ))
       4.700     2.800     1.300 peak   768 spectrum    1 weight  0.10000E+01 volume  0.72108E-04 ppm1      0.355 ppm2      9.680 CV     1
  ASSI {  772}
    (  segid "    " and resid 44   and name HG2%)
    (( segid "    " and resid 18   and name HN  ))
       3.200     1.300     1.300 peak   772 spectrum    1 weight  0.10000E+01 volume  0.62073E-03 ppm1      0.350 ppm2      8.246 CV     1
  ASSI {  774}
    (  segid "    " and resid 44   and name HG2%)
    (  segid "    " and resid 25   and name HD% )
       4.400     2.400     1.600 peak   774 spectrum    1 weight  0.10000E+01 volume  0.72481E-04 ppm1      0.350 ppm2      7.042 CV     1
  OR {  774}
    (  segid "    " and resid 44   and name HD1%)
    (  segid "    " and resid 25   and name HD% )
  ASSI {  775}
    (  segid "    " and resid 44   and name HD1%)
    (  segid "    " and resid 31   and name HE% )
       3.200     1.300     1.300 peak   775 spectrum    1 weight  0.10000E+01 volume  0.60958E-03 ppm1      0.350 ppm2      6.904 CV     1
  ASSI {  776}
    (  segid "    " and resid 44   and name HD1%)
    (( segid "    " and resid 31   and name HZ  ))
       2.200     2.200     3.800 peak   776 spectrum    1 weight  0.10000E+01 volume  0.65790E-02 ppm1      0.350 ppm2      6.670 CV     1
  ASSI {  777}
    (  segid "    " and resid 44   and name HG2%)
    (( segid "    " and resid 20   and name HN  ))
       4.500     2.600     1.500 peak   777 spectrum    1 weight  0.10000E+01 volume  0.97387E-04 ppm1      0.345 ppm2      9.788 CV     1
  OR {  777}
    (  segid "    " and resid 44   and name HD1%)
    (( segid "    " and resid 20   and name HN  ))
  ASSI {  778}
    (  segid "    " and resid 44   and name HG2%)
    (( segid "    " and resid 17   and name HN  ))
       4.700     2.700     1.300 peak   778 spectrum    1 weight  0.10000E+01 volume  0.92552E-04 ppm1      0.346 ppm2      8.365 CV     1
  ASSI {  779}
    (  segid "    " and resid 44   and name HG2%)
    (( segid "    " and resid 48   and name HN  ))
       4.800     2.800     1.200 peak   779 spectrum    1 weight  0.10000E+01 volume  0.81773E-04 ppm1      0.347 ppm2      8.166 CV     1
  ASSI {  780}
    (  segid "    " and resid 44   and name HD1%)
    (  segid "    " and resid 31   and name HD% )
       3.000     3.000     3.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.75082E-03 ppm1      0.349 ppm2      6.738 CV     1
  OR {  780}
    (  segid "    " and resid 44   and name HG2%)
    (  segid "    " and resid 31   and name HD% )
  ASSI {  782}
    (  segid "    " and resid 23   and name HG2%)
    (( segid "    " and resid 26   and name HN  ))
       5.500     3.700     0.500 peak   782 spectrum    1 weight  0.10000E+01 volume  0.31445E-04 ppm1      0.168 ppm2      9.302 CV     1
  ASSI {  783}
    (  segid "    " and resid 23   and name HG2%)
    (( segid "    " and resid 22   and name HN  ))
       4.600     2.600     1.400 peak   783 spectrum    1 weight  0.10000E+01 volume  0.54639E-04 ppm1      0.167 ppm2      8.450 CV     1
  ASSI {  784}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 31   and name HZ  ))
       3.400     1.400     1.400 peak   784 spectrum    1 weight  0.10000E+01 volume  0.52037E-03 ppm1      7.726 ppm2      6.671 CV     1
  ASSI {  795}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 13   and name HB3 ))
       4.900     3.000     1.100 peak   795 spectrum    1 weight  0.10000E+01 volume  0.65047E-04 ppm1      5.457 ppm2      2.006 CV     1
  ASSI {  796}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 16   and name HA  ))
       4.900     3.000     1.100 peak   796 spectrum    1 weight  0.10000E+01 volume  0.48320E-04 ppm1      5.453 ppm2      4.088 CV     1
  ASSI {  799}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 18   and name HB3 ))
       3.000     1.100     1.100 peak   799 spectrum    1 weight  0.10000E+01 volume  0.14422E-02 ppm1      5.215 ppm2      2.350 CV     1
  ASSI {  811}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 44   and name HB  ))
       5.000     3.200     1.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.10891E-03 ppm1      4.818 ppm2      1.424 CV     1
  ASSI {  812}
    (( segid "    " and resid 43   and name HA  ))
    (  segid "    " and resid 42   and name HG2%)
       4.800     2.900     1.200 peak   812 spectrum    1 weight  0.10000E+01 volume  0.42001E-04 ppm1      4.818 ppm2      0.906 CV     1
  ASSI {  813}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 43   and name HB  ))
       4.100     2.100     1.900 peak   813 spectrum    1 weight  0.10000E+01 volume  0.17024E-03 ppm1      4.815 ppm2      4.215 CV     1
  ASSI {  814}
    (( segid "    " and resid 43   and name HA  ))
    (  segid "    " and resid 43   and name HG2%)
       2.900     1.000     1.000 peak   814 spectrum    1 weight  0.10000E+01 volume  0.12749E-02 ppm1      4.816 ppm2      1.173 CV     1
  ASSI {  815}
    (( segid "    " and resid 43   and name HA  ))
    (  segid "    " and resid 44   and name HD1%)
       5.100     3.200     0.900 peak   815 spectrum    1 weight  0.10000E+01 volume  0.54639E-04 ppm1      4.815 ppm2      0.343 CV     1
  ASSI {  819}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 20   and name HB3 ))
       4.000     2.000     2.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.12600E-03 ppm1      4.794 ppm2      3.947 CV     1
  ASSI {  821}
    (( segid "    " and resid 2    and name HA  ))
    (  segid "    " and resid 1    and name HB% )
       4.900     3.000     1.100 peak   821 spectrum    1 weight  0.10000E+01 volume  0.71366E-04 ppm1      4.792 ppm2      1.548 CV     1
  ASSI {  822}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 42   and name HG12))
       3.500     3.500     2.500 peak   822 spectrum    1 weight  0.10000E+01 volume  0.28695E-03 ppm1      4.796 ppm2      1.326 CV     1
  ASSI {  823}
    (( segid "    " and resid 24   and name HA  ))
    (  segid "    " and resid 23   and name HG1%)
       4.800     2.900     1.200 peak   823 spectrum    1 weight  0.10000E+01 volume  0.55755E-04 ppm1      4.785 ppm2      0.696 CV     1
  ASSI {  824}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 50   and name HB3 ))
       6.000     6.000     0.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.26651E-05 ppm1      4.780 ppm2      3.156 CV     1
  ASSI {  826}
    (( segid "    " and resid 24   and name HA  ))
    (  segid "    " and resid 17   and name HG2%)
       3.600     1.600     1.600 peak   826 spectrum    1 weight  0.10000E+01 volume  0.44975E-03 ppm1      4.778 ppm2      0.590 CV     1
  ASSI {  827}
    (( segid "    " and resid 24   and name HA  ))
    (  segid "    " and resid 23   and name HG2%)
       3.400     1.500     1.500 peak   827 spectrum    1 weight  0.10000E+01 volume  0.30330E-03 ppm1      4.777 ppm2      0.157 CV     1
  ASSI {  828}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 24   and name HB  ))
       4.400     2.400     1.600 peak   828 spectrum    1 weight  0.10000E+01 volume  0.98131E-04 ppm1      4.775 ppm2      4.104 CV     1
  ASSI {  831}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 25   and name HB3 ))
       4.600     2.700     1.400 peak   831 spectrum    1 weight  0.10000E+01 volume  0.17879E-03 ppm1      4.771 ppm2      2.881 CV     1
  ASSI {  832}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 25   and name HB2 ))
       4.300     2.300     1.700 peak   832 spectrum    1 weight  0.10000E+01 volume  0.26056E-03 ppm1      4.772 ppm2      2.817 CV     1
  ASSI {  833}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 50   and name HB2 ))
       4.300     2.300     1.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.97755E-04 ppm1      4.771 ppm2      2.579 CV     1
  ASSI {  834}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 18   and name HB3 ))
       4.800     2.800     1.200 peak   834 spectrum    1 weight  0.10000E+01 volume  0.14273E-03 ppm1      4.772 ppm2      2.353 CV     1
  ASSI {  835}
    (( segid "    " and resid 24   and name HA  ))
    (  segid "    " and resid 24   and name HG2%)
       2.900     1.100     1.100 peak   835 spectrum    1 weight  0.10000E+01 volume  0.10816E-02 ppm1      4.774 ppm2      1.089 CV     1
  ASSI {  839}
    (( segid "    " and resid 19   and name HA2 ))
    (  segid "    " and resid 44   and name HG2%)
       4.300     2.300     1.700 peak   839 spectrum    1 weight  0.10000E+01 volume  0.21112E-03 ppm1      4.745 ppm2      0.344 CV     1
  OR {  839}
    (( segid "    " and resid 19   and name HA2 ))
    (  segid "    " and resid 44   and name HD1%)
  ASSI {  842}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 41   and name HB3 ))
       2.600     0.800     0.800 peak   842 spectrum    1 weight  0.10000E+01 volume  0.25944E-02 ppm1      4.714 ppm2      2.893 CV     1
  ASSI {  844}
    (( segid "    " and resid 19   and name HA2 ))
    (  segid "    " and resid 45   and name HB% )
       5.700     4.000     0.300 peak   844 spectrum    1 weight  0.10000E+01 volume  0.32932E-04 ppm1      4.715 ppm2      1.170 CV     1
  ASSI {  845}
    (( segid "    " and resid 19   and name HA2 ))
    (  segid "    " and resid 42   and name HD1%)
       3.800     1.800     1.800 peak   845 spectrum    1 weight  0.10000E+01 volume  0.21521E-03 ppm1      4.704 ppm2      0.621 CV     1
  ASSI {  846}
    (( segid "    " and resid 19   and name HA2 ))
    (( segid "    " and resid 31   and name HA  ))
       2.500     2.500     3.500 peak   846 spectrum    1 weight  0.10000E+01 volume  0.30925E-02 ppm1      4.698 ppm2      3.221 CV     1
  ASSI {  849}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 35   and name HA  ))
       4.300     2.300     1.700 peak   849 spectrum    1 weight  0.10000E+01 volume  0.13864E-03 ppm1      4.682 ppm2      3.996 CV     1
  ASSI {  850}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 36   and name HA  ))
       2.900     1.100     1.100 peak   850 spectrum    1 weight  0.10000E+01 volume  0.12675E-02 ppm1      4.682 ppm2      3.886 CV     1
  ASSI {  851}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 40   and name HD3 ))
       5.100     3.300     0.900 peak   851 spectrum    1 weight  0.10000E+01 volume  0.40886E-04 ppm1      4.683 ppm2      3.845 CV     1
  ASSI {  853}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 40   and name HB3 ))
       2.500     0.800     0.800 peak   853 spectrum    1 weight  0.10000E+01 volume  0.26093E-02 ppm1      4.682 ppm2      2.376 CV     1
  ASSI {  854}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 35   and name HG3 ))
       3.200     1.300     1.300 peak   854 spectrum    1 weight  0.10000E+01 volume  0.81401E-03 ppm1      4.683 ppm2      2.150 CV     1
  ASSI {  855}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 40   and name HB2 ))
       3.100     1.200     1.200 peak   855 spectrum    1 weight  0.10000E+01 volume  0.10259E-02 ppm1      4.683 ppm2      1.997 CV     1
  ASSI {  858}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 35   and name HB2 ))
       6.000     4.600     0.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.47205E-04 ppm1      4.680 ppm2      1.085 CV     1
  ASSI {  859}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 6    and name HA2 ))
       4.400     2.400     1.600 peak   859 spectrum    1 weight  0.10000E+01 volume  0.12117E-03 ppm1      4.637 ppm2      3.043 CV     1
  ASSI {  860}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 7    and name HB2 ))
       2.500     0.800     0.800 peak   860 spectrum    1 weight  0.10000E+01 volume  0.28026E-02 ppm1      4.635 ppm2      1.795 CV     1
  OR {  860}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 7    and name HB3 ))
  ASSI {  861}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 7    and name HG3 ))
       3.400     1.500     1.500 peak   861 spectrum    1 weight  0.10000E+01 volume  0.46090E-03 ppm1      4.636 ppm2      1.642 CV     1
  ASSI {  862}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 7    and name HG2 ))
       3.200     1.300     1.300 peak   862 spectrum    1 weight  0.10000E+01 volume  0.86604E-03 ppm1      4.636 ppm2      1.554 CV     1
  ASSI {  863}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 17   and name HA  ))
       3.900     1.900     1.900 peak   863 spectrum    1 weight  0.10000E+01 volume  0.19662E-03 ppm1      4.623 ppm2      4.184 CV     1
  ASSI {  864}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 48   and name HA2 ))
       4.900     2.900     1.100 peak   864 spectrum    1 weight  0.10000E+01 volume  0.92920E-04 ppm1      4.623 ppm2      3.388 CV     1
  ASSI {  866}
    (( segid "    " and resid 47   and name HA  ))
    (  segid "    " and resid 17   and name HG1%)
       3.300     1.300     1.300 peak   866 spectrum    1 weight  0.10000E+01 volume  0.64675E-03 ppm1      4.624 ppm2      0.628 CV     1
  ASSI {  871}
    (( segid "    " and resid 46   and name HA  ))
    (  segid "    " and resid 44   and name HG2%)
       3.000     1.100     1.100 peak   871 spectrum    1 weight  0.10000E+01 volume  0.98131E-03 ppm1      4.610 ppm2      0.350 CV     1
  ASSI {  872}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 46   and name HB2 ))
       2.600     0.900     0.900 peak   872 spectrum    1 weight  0.10000E+01 volume  0.21521E-02 ppm1      4.607 ppm2      3.216 CV     1
  ASSI {  873}
    (( segid "    " and resid 46   and name HA  ))
    (  segid "    " and resid 45   and name HB% )
       5.400     3.700     0.600 peak   873 spectrum    1 weight  0.10000E+01 volume  0.41258E-04 ppm1      4.607 ppm2      1.166 CV     1
  ASSI {  874}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 5    and name HB  ))
       2.800     1.000     1.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.15611E-02 ppm1      4.588 ppm2      1.990 CV     1
  ASSI {  875}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 18   and name HB3 ))
       5.100     3.300     0.900 peak   875 spectrum    1 weight  0.10000E+01 volume  0.51294E-04 ppm1      4.584 ppm2      2.329 CV     1
  ASSI {  879}
    (( segid "    " and resid 11   and name HB  ))
    (  segid "    " and resid 11   and name HG2%)
       2.500     0.800     0.800 peak   879 spectrum    1 weight  0.10000E+01 volume  0.26762E-02 ppm1      4.585 ppm2      1.336 CV     1
  ASSI {  880}
    (( segid "    " and resid 5    and name HA  ))
    (  segid "    " and resid 5    and name HG1%)
       2.600     0.900     0.900 peak   880 spectrum    1 weight  0.10000E+01 volume  0.26985E-02 ppm1      4.583 ppm2      0.962 CV     1
  ASSI {  882}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 25   and name HB3 ))
       2.700     0.900     0.900 peak   882 spectrum    1 weight  0.10000E+01 volume  0.19254E-02 ppm1      4.577 ppm2      2.872 CV     1
  ASSI {  883}
    (( segid "    " and resid 25   and name HA  ))
    (  segid "    " and resid 24   and name HG2%)
       3.400     1.500     1.500 peak   883 spectrum    1 weight  0.10000E+01 volume  0.48692E-03 ppm1      4.574 ppm2      1.094 CV     1
  ASSI {  885}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 31   and name HB2 ))
       3.800     1.800     1.800 peak   885 spectrum    1 weight  0.10000E+01 volume  0.22265E-03 ppm1      4.573 ppm2      2.583 CV     1
  ASSI {  887}
    (( segid "    " and resid 3    and name HA  ))
    (( segid "    " and resid 3    and name HB2 ))
       3.100     1.200     1.200 peak   887 spectrum    1 weight  0.10000E+01 volume  0.84371E-03 ppm1      4.549 ppm2      2.667 CV     1
  ASSI {  890}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 15   and name HB3 ))
       1.900     1.900     4.100 peak   890 spectrum    1 weight  0.10000E+01 volume  0.14534E-01 ppm1      4.522 ppm2      2.972 CV     1
  ASSI {  894}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 21   and name HB2 ))
       2.300     0.700     0.700 peak   894 spectrum    1 weight  0.10000E+01 volume  0.41630E-02 ppm1      4.516 ppm2      2.719 CV     1
  ASSI {  898}
    (( segid "    " and resid 11   and name HA  ))
    (  segid "    " and resid 11   and name HG2%)
       2.000     0.500     0.500 peak   898 spectrum    1 weight  0.10000E+01 volume  0.12564E-01 ppm1      4.513 ppm2      1.331 CV     1
  ASSI {  899}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 48   and name HA2 ))
       2.100     0.500     0.500 peak   899 spectrum    1 weight  0.10000E+01 volume  0.67277E-02 ppm1      4.510 ppm2      3.389 CV     1
  ASSI {  901}
    (( segid "    " and resid 21   and name HA  ))
    (  segid "    " and resid 42   and name HG2%)
       4.200     2.200     1.800 peak   901 spectrum    1 weight  0.10000E+01 volume  0.15016E-03 ppm1      4.511 ppm2      0.914 CV     1
  ASSI {  909}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 23   and name HB  ))
       2.000     2.000     4.000 peak   909 spectrum    1 weight  0.10000E+01 volume  0.15202E-01 ppm1      4.477 ppm2      2.220 CV     1
  ASSI {  910}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 12   and name HB3 ))
       4.700     2.800     1.300 peak   910 spectrum    1 weight  0.10000E+01 volume  0.62445E-04 ppm1      4.473 ppm2      1.837 CV     1
  ASSI {  911}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 12   and name HD3 ))
       4.800     2.900     1.200 peak   911 spectrum    1 weight  0.10000E+01 volume  0.11076E-03 ppm1      4.454 ppm2      3.258 CV     1
  ASSI {  914}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 8    and name HD3 ))
       2.300     0.700     0.700 peak   914 spectrum    1 weight  0.10000E+01 volume  0.46833E-02 ppm1      4.448 ppm2      1.739 CV     1
  ASSI {  915}
    (( segid "    " and resid 9    and name HA  ))
    (  segid "    " and resid 9    and name HB% )
       2.300     0.600     0.600 peak   915 spectrum    1 weight  0.10000E+01 volume  0.52781E-02 ppm1      4.448 ppm2      1.328 CV     1
  ASSI {  917}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 8    and name HB3 ))
       3.100     1.200     1.200 peak   917 spectrum    1 weight  0.10000E+01 volume  0.85860E-03 ppm1      4.436 ppm2      1.603 CV     1
  ASSI {  921}
    (( segid "    " and resid 18   and name HA  ))
    (  segid "    " and resid 44   and name HG2%)
       5.200     3.400     0.800 peak   921 spectrum    1 weight  0.10000E+01 volume  0.45718E-04 ppm1      5.223 ppm2      0.366 CV     1
  ASSI {  922}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 18   and name HB2 ))
       3.000     1.100     1.100 peak   922 spectrum    1 weight  0.10000E+01 volume  0.91063E-03 ppm1      5.214 ppm2      1.383 CV     1
  ASSI {  923}
    (( segid "    " and resid 18   and name HA  ))
    (  segid "    " and resid 24   and name HG2%)
       4.400     2.500     1.600 peak   923 spectrum    1 weight  0.10000E+01 volume  0.13604E-03 ppm1      5.215 ppm2      1.091 CV     1
  ASSI {  924}
    (( segid "    " and resid 18   and name HA  ))
    (  segid "    " and resid 17   and name HG2%)
       4.600     2.600     1.400 peak   924 spectrum    1 weight  0.10000E+01 volume  0.84371E-04 ppm1      5.217 ppm2      0.584 CV     1
  ASSI {  925}
    (( segid "    " and resid 18   and name HA  ))
    (  segid "    " and resid 45   and name HB% )
       4.700     2.800     1.300 peak   925 spectrum    1 weight  0.10000E+01 volume  0.81773E-04 ppm1      5.203 ppm2      1.158 CV     1
  ASSI {  928}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 16   and name HD3 ))
       4.200     2.200     1.800 peak   928 spectrum    1 weight  0.10000E+01 volume  0.13306E-03 ppm1      5.127 ppm2      3.047 CV     1
  ASSI {  929}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 15   and name HB3 ))
       5.500     3.800     0.500 peak   929 spectrum    1 weight  0.10000E+01 volume  0.70993E-04 ppm1      5.124 ppm2      2.962 CV     1
  ASSI {  931}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 27   and name HB3 ))
       3.900     1.900     1.900 peak   931 spectrum    1 weight  0.10000E+01 volume  0.18845E-03 ppm1      5.120 ppm2      3.562 CV     1
  ASSI {  932}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 14   and name HB3 ))
       3.500     1.500     1.500 peak   932 spectrum    1 weight  0.10000E+01 volume  0.58356E-03 ppm1      5.120 ppm2      3.391 CV     1
  ASSI {  933}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 14   and name HB2 ))
       2.800     1.000     1.000 peak   933 spectrum    1 weight  0.10000E+01 volume  0.13270E-02 ppm1      5.119 ppm2      3.194 CV     1
  ASSI {  934}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 16   and name HD2 ))
       4.800     2.900     1.200 peak   934 spectrum    1 weight  0.10000E+01 volume  0.10445E-03 ppm1      5.117 ppm2      1.109 CV     1
  ASSI {  935}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 13   and name HB3 ))
       4.500     2.500     1.500 peak   935 spectrum    1 weight  0.10000E+01 volume  0.95154E-04 ppm1      5.114 ppm2      2.002 CV     1
  ASSI {  937}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 10   and name HB3 ))
       3.000     1.100     1.100 peak   937 spectrum    1 weight  0.10000E+01 volume  0.11709E-02 ppm1      5.061 ppm2      3.316 CV     1
  ASSI {  940}
    (( segid "    " and resid 38   and name HA  ))
    (  segid "    " and resid 1    and name HB% )
       5.500     3.800     0.500 peak   940 spectrum    1 weight  0.10000E+01 volume  0.26502E-04 ppm1      5.042 ppm2      1.585 CV     1
  ASSI {  941}
    (( segid "    " and resid 39   and name HA  ))
    (  segid "    " and resid 42   and name HD1%)
       5.400     3.600     0.600 peak   941 spectrum    1 weight  0.10000E+01 volume  0.37913E-04 ppm1      5.041 ppm2      0.630 CV     1
  ASSI {  942}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HB2 ))
       2.800     1.000     1.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.16540E-02 ppm1      5.036 ppm2      2.454 CV     1
  ASSI {  945}
    (( segid "    " and resid 39   and name HA  ))
    (  segid "    " and resid 42   and name HG2%)
       4.600     2.700     1.400 peak   945 spectrum    1 weight  0.10000E+01 volume  0.92920E-04 ppm1      5.037 ppm2      0.914 CV     1
  ASSI {  946}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 38   and name HB3 ))
       2.700     0.900     0.900 peak   946 spectrum    1 weight  0.10000E+01 volume  0.16949E-02 ppm1      5.025 ppm2      3.047 CV     1
  ASSI {  948}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 50   and name HB3 ))
       2.900     1.100     1.100 peak   948 spectrum    1 weight  0.10000E+01 volume  0.12080E-02 ppm1      4.392 ppm2      3.151 CV     1
  ASSI {  949}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 50   and name HB2 ))
       3.200     1.300     1.300 peak   949 spectrum    1 weight  0.10000E+01 volume  0.73223E-03 ppm1      4.392 ppm2      2.596 CV     1
  ASSI {  950}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 18   and name HB3 ))
       3.600     1.600     1.600 peak   950 spectrum    1 weight  0.10000E+01 volume  0.56126E-03 ppm1      4.391 ppm2      2.349 CV     1
  ASSI {  951}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HB2 ))
       2.800     1.000     1.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.14050E-02 ppm1      4.372 ppm2      3.070 CV     1
  ASSI {  954}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 36   and name HG2 ))
       6.000     4.700     0.000 peak   954 spectrum    1 weight  0.10000E+01 volume  0.21150E-04 ppm1      4.375 ppm2      2.264 CV     1
  ASSI {  955}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 36   and name HG3 ))
       2.600     2.600     3.400 peak   955 spectrum    1 weight  0.10000E+01 volume  0.22525E-02 ppm1      4.363 ppm2      2.458 CV     1
  ASSI {  959}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 37   and name HG2 ))
       4.100     2.100     1.900 peak   959 spectrum    1 weight  0.10000E+01 volume  0.17246E-03 ppm1      4.350 ppm2      2.302 CV     1
  ASSI {  960}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 36   and name HB2 ))
       2.800     2.800     3.200 peak   960 spectrum    1 weight  0.10000E+01 volume  0.11225E-02 ppm1      4.353 ppm2      1.939 CV     1
  ASSI {  962}
    (( segid "    " and resid 37   and name HA  ))
    (  segid "    " and resid 1    and name HB% )
       4.600     2.600     1.400 peak   962 spectrum    1 weight  0.10000E+01 volume  0.82888E-04 ppm1      4.347 ppm2      1.571 CV     1
  ASSI {  972}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 30   and name HB2 ))
       5.500     3.800     0.500 peak   972 spectrum    1 weight  0.10000E+01 volume  0.25684E-04 ppm1      4.272 ppm2      2.795 CV     1
  ASSI {  975}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 31   and name HB3 ))
       2.900     1.000     1.000 peak   975 spectrum    1 weight  0.10000E+01 volume  0.10928E-02 ppm1      4.215 ppm2      2.998 CV     1
  ASSI {  976}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 31   and name HB2 ))
       3.100     1.200     1.200 peak   976 spectrum    1 weight  0.10000E+01 volume  0.14756E-02 ppm1      4.215 ppm2      2.570 CV     1
  ASSI {  977}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 28   and name HB3 ))
       2.700     0.900     0.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.16837E-02 ppm1      4.214 ppm2      2.500 CV     1
  ASSI {  981}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 13   and name HB3 ))
       2.400     0.700     0.700 peak   981 spectrum    1 weight  0.10000E+01 volume  0.42373E-02 ppm1      4.207 ppm2      2.004 CV     1
  ASSI {  983}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 42   and name HG13))
       3.200     1.300     1.300 peak   983 spectrum    1 weight  0.10000E+01 volume  0.90318E-03 ppm1      4.207 ppm2      1.660 CV     1
  ASSI {  985}
    (( segid "    " and resid 17   and name HA  ))
    (  segid "    " and resid 17   and name HG1%)
       2.400     0.700     0.700 peak   985 spectrum    1 weight  0.10000E+01 volume  0.40886E-02 ppm1      4.202 ppm2      0.595 CV     1
  OR {  985}
    (( segid "    " and resid 17   and name HA  ))
    (  segid "    " and resid 17   and name HG2%)
  ASSI {  987}
    (( segid "    " and resid 42   and name HA  ))
    (  segid "    " and resid 42   and name HG2%)
       2.900     1.000     1.000 peak   987 spectrum    1 weight  0.10000E+01 volume  0.12898E-02 ppm1      4.194 ppm2      0.911 CV     1
  ASSI {  991}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 42   and name HG12))
       3.700     1.700     1.700 peak   991 spectrum    1 weight  0.10000E+01 volume  0.35422E-03 ppm1      4.191 ppm2      1.323 CV     1
  ASSI {  994}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 17   and name HB  ))
       2.900     1.000     1.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.11597E-02 ppm1      4.185 ppm2      1.780 CV     1
  ASSI {  997}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 16   and name HB2 ))
       5.700     4.100     0.300 peak   997 spectrum    1 weight  0.10000E+01 volume  0.19477E-04 ppm1      4.161 ppm2      0.764 CV     1
  ASSI {  999}
    (( segid "    " and resid 17   and name HA  ))
    (  segid "    " and resid 47   and name HE% )
       3.900     1.900     1.900 peak   999 spectrum    1 weight  0.10000E+01 volume  0.23454E-03 ppm1      4.149 ppm2      1.873 CV     1
  ASSI { 1001}
    (( segid "    " and resid 20   and name HA  ))
    (  segid "    " and resid 42   and name HG2%)
       6.000     6.000     0.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.68392E-05 ppm1      4.145 ppm2      0.909 CV     1
  ASSI { 1009}
    (( segid "    " and resid 1    and name HA  ))
    (( segid "    " and resid 37   and name HG2 ))
       3.600     3.600     2.400 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.33527E-03 ppm1      4.133 ppm2      2.280 CV     1
  ASSI { 1014}
    (( segid "    " and resid 1    and name HA  ))
    (( segid "    " and resid 37   and name HB3 ))
       4.500     2.500     1.500 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.10445E-03 ppm1      4.134 ppm2      2.080 CV     1
  ASSI { 1016}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 42   and name HB  ))
       3.600     1.700     1.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.47949E-03 ppm1      4.135 ppm2      1.932 CV     1
  ASSI { 1017}
    (( segid "    " and resid 16   and name HA  ))
    (  segid "    " and resid 47   and name HE% )
       4.300     2.300     1.700 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.12712E-03 ppm1      4.133 ppm2      1.871 CV     1
  ASSI { 1021}
    (( segid "    " and resid 20   and name HA  ))
    (  segid "    " and resid 45   and name HB% )
       2.900     1.100     1.100 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.10705E-02 ppm1      4.132 ppm2      1.165 CV     1
  ASSI { 1023}
    (( segid "    " and resid 1    and name HA  ))
    (  segid "    " and resid 1    and name HB% )
       3.900     1.900     1.900 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.19068E-03 ppm1      4.119 ppm2      1.599 CV     1
  ASSI { 1037}
    (( segid "    " and resid 24   and name HB  ))
    (  segid "    " and resid 24   and name HG2%)
       2.700     0.900     0.900 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.17952E-02 ppm1      4.100 ppm2      1.090 CV     1
  ASSI { 1042}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 16   and name HG3 ))
       4.000     2.000     2.000 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.29290E-03 ppm1      4.087 ppm2      1.416 CV     1
  ASSI { 1043}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 16   and name HB3 ))
       2.900     1.100     1.100 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.10482E-02 ppm1      4.089 ppm2      0.976 CV     1
  ASSI { 1044}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 16   and name HB2 ))
       2.800     1.000     1.000 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.15649E-02 ppm1      4.089 ppm2      0.748 CV     1
  ASSI { 1045}
    (( segid "    " and resid 16   and name HA  ))
    (  segid "    " and resid 17   and name HG1%)
       5.400     3.700     0.600 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.33639E-04 ppm1      4.087 ppm2      0.625 CV     1
  OR { 1045}
    (( segid "    " and resid 16   and name HA  ))
    (  segid "    " and resid 17   and name HG2%)
  ASSI { 1046}
    (( segid "    " and resid 16   and name HA  ))
    (  segid "    " and resid 17   and name HG2%)
       4.900     3.000     1.100 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.72481E-04 ppm1      4.088 ppm2      0.589 CV     1
  ASSI { 1065}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 39   and name HB2 ))
       3.400     1.500     1.500 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.45347E-03 ppm1      3.998 ppm2      2.464 CV     1
  ASSI { 1067}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 35   and name HG3 ))
       2.500     0.800     0.800 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.27840E-02 ppm1      3.991 ppm2      2.148 CV     1
  ASSI { 1068}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 35   and name HB3 ))
       2.600     0.800     0.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.20852E-02 ppm1      3.994 ppm2      1.868 CV     1
  ASSI { 1071}
    (( segid "    " and resid 35   and name HA  ))
    (  segid "    " and resid 42   and name HG2%)
       3.500     3.500     2.500 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.52037E-03 ppm1      3.994 ppm2      0.912 CV     1
  ASSI { 1073}
    (( segid "    " and resid 6    and name HA1 ))
    (( segid "    " and resid 6    and name HA2 ))
       2.100     0.500     0.500 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.65790E-02 ppm1      3.988 ppm2      3.045 CV     1
  ASSI { 1074}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 49   and name HB2 ))
       2.400     0.700     0.700 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.43116E-02 ppm1      3.984 ppm2      1.988 CV     1
  ASSI { 1076}
    (( segid "    " and resid 28   and name HD2 ))
    (( segid "    " and resid 27   and name HB2 ))
       3.000     1.100     1.100 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.79542E-03 ppm1      3.978 ppm2      3.155 CV     1
  ASSI { 1077}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 49   and name HB3 ))
       2.400     0.700     0.700 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.35757E-02 ppm1      3.963 ppm2      2.194 CV     1
  ASSI { 1078}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 18   and name HB2 ))
       4.400     2.400     1.600 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.10370E-03 ppm1      3.964 ppm2      1.410 CV     1
  ASSI { 1079}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 18   and name HB3 ))
       3.200     1.200     1.200 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.14979E-02 ppm1      3.958 ppm2      2.386 CV     1
  ASSI { 1080}
    (( segid "    " and resid 49   and name HA  ))
    (  segid "    " and resid 24   and name HG2%)
       2.600     0.800     0.800 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.26725E-02 ppm1      3.962 ppm2      1.089 CV     1
  ASSI { 1082}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 50   and name HB2 ))
       6.000     5.300     0.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.23789E-04 ppm1      3.952 ppm2      2.582 CV     1
  ASSI { 1084}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 16   and name HB2 ))
       4.300     2.400     1.700 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.97011E-04 ppm1      3.956 ppm2      0.756 CV     1
  ASSI { 1093}
    (( segid "    " and resid 40   and name HD2 ))
    (( segid "    " and resid 40   and name HG3 ))
       3.000     1.100     1.100 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.13530E-02 ppm1      3.591 ppm2      1.891 CV     1
  ASSI { 1094}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 34   and name HB3 ))
       3.300     1.400     1.400 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.73596E-03 ppm1      3.585 ppm2      2.181 CV     1
  ASSI { 1096}
    (( segid "    " and resid 34   and name HA  ))
    (  segid "    " and resid 33   and name HB% )
       4.100     2.100     1.900 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.17098E-03 ppm1      3.583 ppm2      1.320 CV     1
  ASSI { 1100}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 34   and name HB2 ))
       2.900     1.100     1.100 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.10482E-02 ppm1      3.582 ppm2      1.633 CV     1
  ASSI { 1107}
    (( segid "    " and resid 3    and name HB3 ))
    (  segid "    " and resid 1    and name HB% )
       5.500     3.800     0.500 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.29661E-04 ppm1      3.531 ppm2      1.577 CV     1
  ASSI { 1112}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 42   and name HB  ))
       3.900     1.900     1.900 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.15834E-03 ppm1      3.479 ppm2      1.904 CV     1
  ASSI { 1117}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 44   and name HB  ))
       3.300     1.300     1.300 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.62445E-03 ppm1      3.475 ppm2      1.426 CV     1
  ASSI { 1118}
    (( segid "    " and resid 44   and name HA  ))
    (  segid "    " and resid 45   and name HB% )
       3.800     1.800     1.800 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.53896E-03 ppm1      3.476 ppm2      1.166 CV     1
  ASSI { 1119}
    (( segid "    " and resid 44   and name HA  ))
    (  segid "    " and resid 17   and name HG2%)
       3.100     1.200     1.200 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.80658E-03 ppm1      3.475 ppm2      0.591 CV     1
  ASSI { 1120}
    (( segid "    " and resid 44   and name HA  ))
    (  segid "    " and resid 44   and name HG2%)
       2.700     0.900     0.900 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.20666E-02 ppm1      3.476 ppm2      0.350 CV     1
  ASSI { 1121}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 44   and name HG12))
       3.000     1.100     1.100 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.12749E-02 ppm1      3.476 ppm2     -0.608 CV     1
  ASSI { 1131}
    (( segid "    " and resid 48   and name HA2 ))
    (( segid "    " and resid 16   and name HB2 ))
       4.400     2.500     1.600 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.22153E-03 ppm1      3.387 ppm2      0.755 CV     1
  ASSI { 1139}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 34   and name HB3 ))
       3.600     1.600     1.600 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.30107E-03 ppm1      3.258 ppm2      2.167 CV     1
  ASSI { 1141}
    (( segid "    " and resid 46   and name HB2 ))
    (  segid "    " and resid 45   and name HB% )
       4.800     2.900     1.200 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.10296E-03 ppm1      3.231 ppm2      1.153 CV     1
  ASSI { 1148}
    (( segid "    " and resid 7    and name HD3 ))
    (( segid "    " and resid 7    and name HB2 ))
       2.800     1.000     1.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.15054E-02 ppm1      3.198 ppm2      1.769 CV     1
  OR { 1148}
    (( segid "    " and resid 7    and name HD3 ))
    (( segid "    " and resid 7    and name HB3 ))
  ASSI { 1149}
    (( segid "    " and resid 7    and name HD3 ))
    (( segid "    " and resid 7    and name HG3 ))
       3.000     1.100     1.100 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.11188E-02 ppm1      3.199 ppm2      1.647 CV     1
  ASSI { 1154}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 35   and name HB3 ))
       5.600     4.000     0.400 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.31817E-04 ppm1      3.103 ppm2      1.910 CV     1
  ASSI { 1155}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 34   and name HB2 ))
       2.900     1.000     1.000 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.15128E-02 ppm1      3.096 ppm2      1.634 CV     1
  ASSI { 1156}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 34   and name HB3 ))
       2.800     1.000     1.000 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.16057E-02 ppm1      3.094 ppm2      2.183 CV     1
  ASSI { 1157}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 34   and name HG2 ))
       2.100     0.600     0.600 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.52781E-02 ppm1      3.094 ppm2      2.033 CV     1
  ASSI { 1158}
    (( segid "    " and resid 21   and name HB3 ))
    (  segid "    " and resid 42   and name HD1%)
       3.100     3.100     2.900 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.78427E-03 ppm1      3.088 ppm2      0.622 CV     1
  ASSI { 1159}
    (( segid "    " and resid 21   and name HB3 ))
    (  segid "    " and resid 42   and name HG2%)
       3.000     1.100     1.100 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.14607E-02 ppm1      3.057 ppm2      0.913 CV     1
  ASSI { 1160}
    (( segid "    " and resid 21   and name HB3 ))
    (  segid "    " and resid 23   and name HG1%)
       3.100     1.200     1.200 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.81401E-03 ppm1      3.056 ppm2      0.715 CV     1
  ASSI { 1161}
    (( segid "    " and resid 16   and name HD3 ))
    (( segid "    " and resid 16   and name HG3 ))
       2.600     0.900     0.900 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.17470E-02 ppm1      3.049 ppm2      1.417 CV     1
  ASSI { 1162}
    (( segid "    " and resid 16   and name HD3 ))
    (( segid "    " and resid 16   and name HD2 ))
       2.100     0.600     0.600 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.57241E-02 ppm1      3.049 ppm2      1.111 CV     1
  ASSI { 1163}
    (( segid "    " and resid 16   and name HD3 ))
    (( segid "    " and resid 16   and name HB3 ))
       3.000     1.100     1.100 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.89206E-03 ppm1      3.049 ppm2      0.970 CV     1
  ASSI { 1169}
    (( segid "    " and resid 31   and name HB3 ))
    (  segid "    " and resid 44   and name HD1%)
       4.400     2.400     1.600 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.10854E-03 ppm1      2.983 ppm2      0.342 CV     1
  OR { 1169}
    (( segid "    " and resid 31   and name HB3 ))
    (  segid "    " and resid 44   and name HG2%)
  ASSI { 1170}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 13   and name HG2 ))
       4.800     2.800     1.200 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.93296E-04 ppm1      2.970 ppm2      2.237 CV     1
  ASSI { 1176}
    (( segid "    " and resid 8    and name HE3 ))
    (( segid "    " and resid 8    and name HG3 ))
       2.700     0.900     0.900 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.17879E-02 ppm1      2.914 ppm2      1.328 CV     1
  ASSI { 1177}
    (( segid "    " and resid 8    and name HE3 ))
    (( segid "    " and resid 8    and name HD3 ))
       3.900     1.900     1.900 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.23751E-03 ppm1      2.910 ppm2      1.740 CV     1
  ASSI { 1178}
    (( segid "    " and resid 8    and name HE3 ))
    (( segid "    " and resid 8    and name HB3 ))
       3.000     3.000     3.000 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.12006E-02 ppm1      2.911 ppm2      1.564 CV     1
  ASSI { 1181}
    (( segid "    " and resid 25   and name HB3 ))
    (  segid "    " and resid 17   and name HG2%)
       2.200     0.600     0.600 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.60958E-02 ppm1      2.871 ppm2      0.587 CV     1
  ASSI { 1183}
    (( segid "    " and resid 25   and name HB2 ))
    (  segid "    " and resid 17   and name HG2%)
       2.600     0.800     0.800 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      2.818 ppm2      0.589 CV     1
  ASSI { 1184}
    (( segid "    " and resid 39   and name HB3 ))
    (  segid "    " and resid 42   and name HG2%)
       3.000     1.100     1.100 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.79915E-03 ppm1      2.806 ppm2      0.912 CV     1
  ASSI { 1192}
    (( segid "    " and resid 21   and name HB2 ))
    (  segid "    " and resid 42   and name HD1%)
       4.700     2.800     1.300 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.62816E-04 ppm1      2.723 ppm2      0.625 CV     1
  ASSI { 1193}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 42   and name HB  ))
       4.200     2.200     1.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.16801E-03 ppm1      2.718 ppm2      1.932 CV     1
  ASSI { 1194}
    (( segid "    " and resid 21   and name HB2 ))
    (  segid "    " and resid 42   and name HG2%)
       3.200     1.300     1.300 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.60586E-03 ppm1      2.720 ppm2      0.912 CV     1
  ASSI { 1195}
    (( segid "    " and resid 21   and name HB2 ))
    (  segid "    " and resid 23   and name HG1%)
       3.900     1.900     1.900 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.33378E-03 ppm1      2.711 ppm2      0.712 CV     1
  ASSI { 1196}
    (( segid "    " and resid 17   and name HB  ))
    (( segid "    " and resid 44   and name HG12))
       3.900     1.900     1.900 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.23640E-03 ppm1      1.778 ppm2     -0.604 CV     1
  ASSI { 1197}
    (( segid "    " and resid 44   and name HB  ))
    (( segid "    " and resid 44   and name HG12))
       3.000     1.200     1.200 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.93296E-03 ppm1      1.426 ppm2     -0.609 CV     1
  ASSI { 1198}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 44   and name HG12))
       2.200     2.200     3.800 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.65790E-02 ppm1      0.585 ppm2     -0.608 CV     1
  ASSI { 1200}
    (  segid "    " and resid 44   and name HD1%)
    (( segid "    " and resid 44   and name HG12))
       2.300     0.700     0.700 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.40886E-02 ppm1      0.350 ppm2     -0.609 CV     1
  OR { 1200}
    (  segid "    " and resid 44   and name HG2%)
    (( segid "    " and resid 44   and name HG12))
  ASSI { 1201}
    (( segid "    " and resid 31   and name HB2 ))
    (  segid "    " and resid 17   and name HG2%)
       3.000     1.200     1.200 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.82516E-03 ppm1      2.573 ppm2      0.588 CV     1
  ASSI { 1204}
    (( segid "    " and resid 23   and name HB  ))
    (  segid "    " and resid 23   and name HG1%)
       2.500     0.800     0.800 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.30367E-02 ppm1      2.220 ppm2      0.710 CV     1
  ASSI { 1205}
    (( segid "    " and resid 23   and name HB  ))
    (  segid "    " and resid 23   and name HG2%)
       2.500     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.27282E-02 ppm1      2.219 ppm2      0.164 CV     1
  ASSI { 1206}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 35   and name HB2 ))
       2.900     1.100     1.100 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.19402E-02 ppm1      2.156 ppm2      1.086 CV     1
  ASSI { 1207}
    (( segid "    " and resid 35   and name HG2 ))
    (  segid "    " and resid 42   and name HD1%)
       2.600     0.800     0.800 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.40143E-02 ppm1      2.027 ppm2      0.623 CV     1
  ASSI { 1209}
    (( segid "    " and resid 5    and name HB  ))
    (  segid "    " and resid 5    and name HG1%)
       2.200     0.600     0.600 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.57985E-02 ppm1      1.984 ppm2      0.960 CV     1
  ASSI { 1210}
    (( segid "    " and resid 42   and name HB  ))
    (  segid "    " and resid 42   and name HG2%)
       1.900     0.400     0.400 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.14794E-01 ppm1      1.952 ppm2      0.911 CV     1
  ASSI { 1211}
    (( segid "    " and resid 42   and name HB  ))
    (  segid "    " and resid 42   and name HD1%)
       2.800     1.000     1.000 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.13381E-02 ppm1      1.952 ppm2      0.623 CV     1
  ASSI { 1212}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 35   and name HB2 ))
       2.100     0.500     0.500 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.58356E-02 ppm1      1.872 ppm2      1.085 CV     1
  ASSI { 1215}
    (( segid "    " and resid 17   and name HB  ))
    (  segid "    " and resid 44   and name HG2%)
       2.700     0.900     0.900 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.16391E-02 ppm1      1.780 ppm2      0.350 CV     1
  ASSI { 1216}
    (( segid "    " and resid 17   and name HB  ))
    (  segid "    " and resid 17   and name HG2%)
       2.500     0.800     0.800 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.25201E-02 ppm1      1.778 ppm2      0.617 CV     1
  OR { 1216}
    (( segid "    " and resid 17   and name HB  ))
    (  segid "    " and resid 17   and name HG1%)
  ASSI { 1217}
    (( segid "    " and resid 17   and name HB  ))
    (  segid "    " and resid 17   and name HG2%)
       2.500     0.800     0.800 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.29884E-02 ppm1      1.778 ppm2      0.591 CV     1
  ASSI { 1218}
    (( segid "    " and resid 42   and name HG13))
    (  segid "    " and resid 42   and name HG2%)
       3.100     1.200     1.200 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.11634E-02 ppm1      1.644 ppm2      0.911 CV     1
  ASSI { 1219}
    (( segid "    " and resid 42   and name HG13))
    (  segid "    " and resid 42   and name HD1%)
       2.400     0.700     0.700 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.31000E-02 ppm1      1.644 ppm2      0.622 CV     1
  ASSI { 1221}
    (( segid "    " and resid 44   and name HB  ))
    (  segid "    " and resid 44   and name HG2%)
       2.300     0.600     0.600 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.52409E-02 ppm1      1.428 ppm2      0.349 CV     1
  OR { 1221}
    (( segid "    " and resid 44   and name HB  ))
    (  segid "    " and resid 44   and name HD1%)
  ASSI { 1222}
    (( segid "    " and resid 16   and name HG3 ))
    (( segid "    " and resid 16   and name HD2 ))
       2.800     1.000     1.000 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.21224E-02 ppm1      1.414 ppm2      1.103 CV     1
  ASSI { 1223}
    (( segid "    " and resid 16   and name HG3 ))
    (( segid "    " and resid 16   and name HB3 ))
       2.800     1.000     1.000 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.12637E-02 ppm1      1.414 ppm2      0.975 CV     1
  ASSI { 1224}
    (( segid "    " and resid 16   and name HG3 ))
    (( segid "    " and resid 16   and name HB2 ))
       3.100     1.200     1.200 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.95898E-03 ppm1      1.413 ppm2      0.752 CV     1
  ASSI { 1226}
    (( segid "    " and resid 42   and name HG12))
    (  segid "    " and resid 42   and name HG2%)
       3.000     1.100     1.100 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.90695E-03 ppm1      1.321 ppm2      0.911 CV     1
  ASSI { 1227}
    (( segid "    " and resid 42   and name HG12))
    (  segid "    " and resid 42   and name HD1%)
       2.600     0.800     0.800 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.20666E-02 ppm1      1.321 ppm2      0.622 CV     1
  ASSI { 1229}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 18   and name HB2 ))
       2.000     0.500     0.500 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.69135E-02 ppm1      2.350 ppm2      1.383 CV     1
  ASSI { 1231}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HB2 ))
       1.100     0.100     1.100 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.32077E+00 ppm1      2.186 ppm2      1.642 CV     1
  ASSI { 1233}
    (( segid "    " and resid 42   and name HB  ))
    (( segid "    " and resid 42   and name HG12))
       2.700     0.900     0.900 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.19662E-02 ppm1      1.950 ppm2      1.318 CV     1
  ASSI { 1234}
    (( segid "    " and resid 8    and name HD3 ))
    (( segid "    " and resid 8    and name HG3 ))
       3.300     1.400     1.400 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.69878E-03 ppm1      1.732 ppm2      1.321 CV     1
  ASSI { 1235}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 8    and name HG3 ))
       1.600     1.600     4.400 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.43860E-01 ppm1      1.586 ppm2      1.324 CV     1
  ASSI { 1236}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 31   and name HB2 ))
       1.000     1.000     5.000 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.52409E+00 ppm1      3.207 ppm2      2.575 CV     1
  ASSI { 1237}
    (( segid "    " and resid 50   and name HB3 ))
    (( segid "    " and resid 50   and name HB2 ))
       2.000     0.500     0.500 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.81401E-02 ppm1      3.151 ppm2      2.594 CV     1
  ASSI { 1238}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 31   and name HB2 ))
       2.200     0.600     0.600 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.46462E-02 ppm1      2.998 ppm2      2.573 CV     1
  ASSI { 1239}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 31   and name HB2 ))
       2.900     1.000     1.000 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.11709E-02 ppm1      2.876 ppm2      2.571 CV     1
  ASSI { 1240}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 39   and name HB2 ))
       2.300     0.600     0.600 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.41630E-02 ppm1      2.803 ppm2      2.452 CV     1
  ASSI { 1242}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 10   and name HB2 ))
       2.000     0.500     0.500 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.79542E-02 ppm1      3.314 ppm2      2.803 CV     1
  ASSI { 1246}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 27   and name HB2 ))
       2.200     0.600     0.600 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.45347E-02 ppm1      3.558 ppm2      3.154 CV     1
  ASSI { 1247}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 14   and name HB2 ))
       2.000     0.500     0.500 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.72481E-02 ppm1      3.392 ppm2      3.195 CV     1
  ASSI { 1248}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 29   and name HB2 ))
       2.000     0.500     0.500 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.70250E-02 ppm1      3.389 ppm2      3.069 CV     1
  ASSI { 1251}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 36   and name HB3 ))
       2.700     0.900     0.900 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.21484E-02 ppm1      3.885 ppm2      2.062 CV     1
  ASSI { 1252}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 36   and name HB2 ))
       2.500     0.800     0.800 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.27691E-02 ppm1      3.888 ppm2      1.945 CV     1
  ASSI { 1254}
    (( segid "    " and resid 33   and name HA  ))
    (  segid "    " and resid 33   and name HB% )
       2.400     0.700     0.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.34642E-02 ppm1      3.878 ppm2      1.319 CV     1
  ASSI { 1255}
    (( segid "    " and resid 23   and name HA  ))
    (  segid "    " and resid 23   and name HG1%)
       2.600     0.900     0.900 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.25090E-02 ppm1      3.844 ppm2      0.710 CV     1
  ASSI { 1256}
    (( segid "    " and resid 23   and name HA  ))
    (  segid "    " and resid 23   and name HG2%)
       2.700     0.900     0.900 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.18436E-02 ppm1      3.845 ppm2      0.164 CV     1
  ASSI { 1257}
    (( segid "    " and resid 40   and name HD3 ))
    (( segid "    " and resid 40   and name HB2 ))
       3.200     1.300     1.300 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.10667E-02 ppm1      3.837 ppm2      2.002 CV     1
  ASSI { 1258}
    (( segid "    " and resid 40   and name HD3 ))
    (( segid "    " and resid 40   and name HG3 ))
       2.500     0.800     0.800 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.23937E-02 ppm1      3.838 ppm2      1.891 CV     1
  ASSI { 1259}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 35   and name HB3 ))
       3.100     1.200     1.200 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.18176E-02 ppm1      3.770 ppm2      1.872 CV     1
  ASSI { 1260}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 35   and name HB2 ))
       3.300     3.300     2.700 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.45718E-03 ppm1      3.771 ppm2      1.084 CV     1
  ASSI { 1266}
    (( segid "    " and resid 36   and name HG3 ))
    (( segid "    " and resid 36   and name HG2 ))
       2.100     0.600     0.600 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.54639E-02 ppm1      2.462 ppm2      2.223 CV     1
  ASSI { 1268}
    (( segid "    " and resid 42   and name HB  ))
    (( segid "    " and resid 42   and name HG13))
       1.500     1.500     4.500 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.47577E-01 ppm1      1.952 ppm2      1.633 CV     1
  ASSI { 1269}
    (( segid "    " and resid 44   and name HG12))
    (( segid "    " and resid 46   and name HN  ))
       5.100     3.300     0.900 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.59471E-04 ppm1     -0.598 ppm2      7.249 CV     1
  ASSI { 1271}
    (( segid "    " and resid 14   and name HE3 ))
    (( segid "    " and resid 14   and name HZ3 ))
       2.400     0.700     0.700 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.44232E-02 ppm1      7.769 ppm2      7.060 CV     1
  ASSI { 1279}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 31   and name HZ  ))
       4.500     2.500     1.500 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.10333E-03 ppm1      9.789 ppm2      6.670 CV     1
  ASSI { 1281}
    (( segid "    " and resid 20   and name HN  ))
    (  segid "    " and resid 31   and name HE% )
       3.700     1.700     1.700 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.29921E-03 ppm1      9.787 ppm2      6.907 CV     1
  ASSI { 1282}
    (( segid "    " and resid 19   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
       3.100     1.200     1.200 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.70250E-03 ppm1      9.680 ppm2      7.043 CV     1
  ASSI { 1284}
    (( segid "    " and resid 19   and name HN  ))
    (  segid "    " and resid 31   and name HD% )
       4.700     2.800     1.300 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.64303E-04 ppm1      9.679 ppm2      6.734 CV     1
  ASSI { 1295}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 14   and name HD1 ))
       4.600     2.600     1.400 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.99244E-04 ppm1      8.958 ppm2      7.242 CV     1
  ASSI { 1300}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 31   and name HZ  ))
       4.100     2.100     1.900 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.16280E-03 ppm1      8.836 ppm2      6.670 CV     1
  ASSI { 1310}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 34   and name HE22))
       4.800     2.900     1.200 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.59471E-04 ppm1      8.552 ppm2      6.893 CV     1
  ASSI { 1332}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 34   and name HN  ))
       4.700     2.800     1.300 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.64675E-04 ppm1      7.839 ppm2      7.182 CV     1
  ASSI { 1335}
    (( segid "    " and resid 6    and name HA1 ))
    (( segid "    " and resid 7    and name HN  ))
       2.700     0.900     0.900 peak  1335 spectrum    1 weight  0.11000E+01 volume  0.28472E-02 ppm1      3.982 ppm2      8.775 CV     1
  ASSI { 1336}
    (( segid "    " and resid 6    and name HA2 ))
    (( segid "    " and resid 7    and name HN  ))
       2.100     0.600     0.600 peak  1336 spectrum    1 weight  0.11000E+01 volume  0.70993E-02 ppm1      3.045 ppm2      8.781 CV     1
  ASSI { 1339}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 11   and name HN  ))
       2.600     0.900     0.900 peak  1339 spectrum    1 weight  0.11000E+01 volume  0.23268E-02 ppm1      5.060 ppm2      8.281 CV     1
  ASSI { 1341}
    (( segid "    " and resid 11   and name HB  ))
    (( segid "    " and resid 12   and name HN  ))
       3.300     1.300     1.300 peak  1341 spectrum    1 weight  0.11000E+01 volume  0.78800E-03 ppm1      4.584 ppm2      8.592 CV     1
  ASSI { 1342}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       2.100     0.600     0.600 peak  1342 spectrum    1 weight  0.11000E+01 volume  0.79915E-02 ppm1      4.202 ppm2      8.833 CV     1
  ASSI { 1343}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 15   and name HN  ))
       2.400     0.700     0.700 peak  1343 spectrum    1 weight  0.11000E+01 volume  0.39400E-02 ppm1      5.120 ppm2      8.964 CV     1
  ASSI { 1346}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 47   and name HN  ))
       5.600     4.000     0.400 peak  1346 spectrum    1 weight  0.11000E+01 volume  0.34196E-04 ppm1      4.180 ppm2      9.096 CV     1
  ASSI { 1347}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 19   and name HN  ))
       2.400     0.700     0.700 peak  1347 spectrum    1 weight  0.11000E+01 volume  0.34827E-02 ppm1      5.214 ppm2      9.678 CV     1
  ASSI { 1348}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 25   and name HN  ))
       3.400     1.400     1.400 peak  1348 spectrum    1 weight  0.11000E+01 volume  0.44603E-03 ppm1      5.215 ppm2      9.531 CV     1
  ASSI { 1350}
    (( segid "    " and resid 19   and name HA2 ))
    (( segid "    " and resid 44   and name HA  ))
       3.800     1.800     1.800 peak  1350 spectrum    1 weight  0.11000E+01 volume  0.88093E-03 ppm1      4.740 ppm2      3.477 CV     1
  ASSI { 1352}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 21   and name HN  ))
       2.700     0.900     0.900 peak  1352 spectrum    1 weight  0.11000E+01 volume  0.18287E-02 ppm1      4.139 ppm2      8.823 CV     1
  ASSI { 1357}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 25   and name HN  ))
       4.100     2.100     1.900 peak  1357 spectrum    1 weight  0.11000E+01 volume  0.26874E-03 ppm1      4.109 ppm2      9.531 CV     1
  ASSI { 1358}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 26   and name HN  ))
       2.400     0.700     0.700 peak  1358 spectrum    1 weight  0.11000E+01 volume  0.33712E-02 ppm1      4.577 ppm2      9.307 CV     1
  ASSI { 1359}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
       3.900     1.900     1.900 peak  1359 spectrum    1 weight  0.11000E+01 volume  0.31000E-03 ppm1      9.531 ppm2      9.681 CV     1
  ASSI { 1361}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       3.800     1.800     1.800 peak  1361 spectrum    1 weight  0.11000E+01 volume  0.26427E-03 ppm1      3.696 ppm2      7.343 CV     1
  ASSI { 1362}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 27   and name HD21))
       4.500     2.500     1.500 peak  1362 spectrum    1 weight  0.11000E+01 volume  0.19960E-03 ppm1      5.453 ppm2      8.120 CV     1
  ASSI { 1363}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 28   and name HD2 ))
       3.500     1.600     1.600 peak  1363 spectrum    1 weight  0.11000E+01 volume  0.43116E-03 ppm1      5.451 ppm2      3.987 CV     1
  ASSI { 1365}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 27   and name HD22))
       4.100     2.100     1.900 peak  1365 spectrum    1 weight  0.11000E+01 volume  0.30925E-03 ppm1      3.164 ppm2      6.293 CV     1
  ASSI { 1366}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 27   and name HD21))
       2.700     0.900     0.900 peak  1366 spectrum    1 weight  0.11000E+01 volume  0.15871E-02 ppm1      3.562 ppm2      8.119 CV     1
  ASSI { 1367}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 27   and name HD22))
       3.500     1.500     1.500 peak  1367 spectrum    1 weight  0.11000E+01 volume  0.80286E-03 ppm1      3.565 ppm2      6.292 CV     1
  ASSI { 1368}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       3.700     1.700     1.700 peak  1368 spectrum    1 weight  0.11000E+01 volume  0.28806E-03 ppm1      4.513 ppm2      7.853 CV     1
  ASSI { 1369}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       3.800     1.800     1.800 peak  1369 spectrum    1 weight  0.11000E+01 volume  0.28917E-03 ppm1      3.210 ppm2      8.666 CV     1
  ASSI { 1370}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       3.900     1.900     1.900 peak  1370 spectrum    1 weight  0.11000E+01 volume  0.22747E-03 ppm1      3.772 ppm2      7.981 CV     1
  ASSI { 1371}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       3.500     1.600     1.600 peak  1371 spectrum    1 weight  0.11000E+01 volume  0.43116E-03 ppm1      3.879 ppm2      7.177 CV     1
  ASSI { 1372}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       3.400     1.400     1.400 peak  1372 spectrum    1 weight  0.11000E+01 volume  0.55011E-03 ppm1      3.580 ppm2      7.709 CV     1
  ASSI { 1373}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 36   and name HN  ))
       3.100     3.100     2.900 peak  1373 spectrum    1 weight  0.11000E+01 volume  0.92920E-03 ppm1      3.989 ppm2      8.292 CV     1
  ASSI { 1374}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 40   and name HD2 ))
       2.700     0.900     0.900 peak  1374 spectrum    1 weight  0.11000E+01 volume  0.16801E-02 ppm1      5.039 ppm2      3.584 CV     1
  ASSI { 1375}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 40   and name HD3 ))
       2.800     1.000     1.000 peak  1375 spectrum    1 weight  0.11000E+01 volume  0.19849E-02 ppm1      5.028 ppm2      3.842 CV     1
  ASSI { 1376}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
       3.300     1.400     1.400 peak  1376 spectrum    1 weight  0.11000E+01 volume  0.59471E-03 ppm1      4.711 ppm2      7.263 CV     1
  ASSI { 1377}
    (  segid "    " and resid 42   and name HG2%)
    (  segid "    " and resid 31   and name HD% )
       5.900     5.900     0.100 peak  1377 spectrum    1 weight  0.11000E+01 volume  0.11671E-04 ppm1      0.911 ppm2      6.736 CV     1
  ASSI { 1378}
    (  segid "    " and resid 42   and name HG2%)
    (  segid "    " and resid 31   and name HE% )
       3.700     1.700     1.700 peak  1378 spectrum    1 weight  0.11000E+01 volume  0.43488E-03 ppm1      0.911 ppm2      6.903 CV     1
  ASSI { 1379}
    (  segid "    " and resid 42   and name HG2%)
    (( segid "    " and resid 31   and name HZ  ))
       3.900     1.900     1.900 peak  1379 spectrum    1 weight  0.11000E+01 volume  0.37170E-03 ppm1      0.911 ppm2      6.671 CV     1
  ASSI { 1380}
    (  segid "    " and resid 43   and name HG2%)
    (( segid "    " and resid 43   and name HN  ))
       3.100     1.200     1.200 peak  1380 spectrum    1 weight  0.11000E+01 volume  0.85860E-03 ppm1      1.173 ppm2      8.843 CV     1
  ASSI { 1382}
    (( segid "    " and resid 44   and name HG12))
    (  segid "    " and resid 31   and name HD% )
       3.800     1.800     1.800 peak  1382 spectrum    1 weight  0.11000E+01 volume  0.18027E-03 ppm1     -0.599 ppm2      6.738 CV     1
  ASSI { 1383}
    (( segid "    " and resid 44   and name HG12))
    (  segid "    " and resid 31   and name HE% )
       3.600     1.600     1.600 peak  1383 spectrum    1 weight  0.11000E+01 volume  0.37541E-03 ppm1     -0.605 ppm2      6.903 CV     1
  ASSI { 1384}
    (( segid "    " and resid 44   and name HG12))
    (( segid "    " and resid 31   and name HZ  ))
       3.200     1.200     1.200 peak  1384 spectrum    1 weight  0.11000E+01 volume  0.11002E-02 ppm1     -0.609 ppm2      6.670 CV     1
  ASSI { 1386}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 18   and name HN  ))
       3.400     3.400     2.600 peak  1386 spectrum    1 weight  0.11000E+01 volume  0.59100E-03 ppm1      4.623 ppm2      8.247 CV     1
  ASSI {    3}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 45   and name HN  ))
       2.500     0.800     0.800 peak     3 spectrum    1 weight  0.10000E+01 volume  0.33988E-02 ppm1      7.240 ppm2      9.195 CV     1
  ASSI {    9}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 46   and name HA  ))
       2.800     1.000     1.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.19377E-02 ppm1      7.240 ppm2      4.604 CV     1
  ASSI {   10}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 45   and name HA  ))
       3.200     1.300     1.300 peak    10 spectrum    1 weight  0.10000E+01 volume  0.10705E-02 ppm1      7.239 ppm2      4.195 CV     1
  ASSI {   12}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 46   and name HB3 ))
       3.600     1.600     1.600 peak    12 spectrum    1 weight  0.10000E+01 volume  0.44472E-03 ppm1      7.239 ppm2      3.813 CV     1
  ASSI {   14}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 44   and name HA  ))
       4.000     2.000     2.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.39389E-03 ppm1      7.240 ppm2      3.465 CV     1
  ASSI {   15}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 46   and name HB2 ))
       6.000     5.200     0.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.17916E-04 ppm1      7.240 ppm2      3.192 CV     1
  ASSI {   17}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 18   and name HB3 ))
       3.200     1.300     1.300 peak    17 spectrum    1 weight  0.10000E+01 volume  0.74966E-03 ppm1      7.240 ppm2      2.347 CV     1
  ASSI {   18}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 17   and name HB  ))
       4.700     2.800     1.300 peak    18 spectrum    1 weight  0.10000E+01 volume  0.10864E-03 ppm1      7.239 ppm2      1.795 CV     1
  ASSI {   19}
    (( segid "    " and resid 46   and name HN  ))
    (  segid "    " and resid 45   and name HB% )
       2.400     0.700     0.700 peak    19 spectrum    1 weight  0.10000E+01 volume  0.50507E-02 ppm1      7.240 ppm2      1.168 CV     1
  ASSI {   20}
    (( segid "    " and resid 46   and name HN  ))
    (  segid "    " and resid 17   and name HG1%)
       5.100     3.300     0.900 peak    20 spectrum    1 weight  0.10000E+01 volume  0.66707E-04 ppm1      7.240 ppm2      0.642 CV     1
  ASSI {   21}
    (( segid "    " and resid 46   and name HN  ))
    (  segid "    " and resid 44   and name HG2%)
       2.600     0.800     0.800 peak    21 spectrum    1 weight  0.10000E+01 volume  0.28875E-02 ppm1      7.240 ppm2      0.353 CV     1
  ASSI {   28}
    (( segid "    " and resid 45   and name HN  ))
    (  segid "    " and resid 31   and name HE% )
       4.400     2.400     1.600 peak    28 spectrum    1 weight  0.10000E+01 volume  0.94660E-04 ppm1      9.202 ppm2      6.890 CV     1
  ASSI {   44}
    (( segid "    " and resid 14   and name HE1 ))
    (( segid "    " and resid 49   and name HN  ))
       6.000     5.400     0.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.15406E-04 ppm1     10.315 ppm2      8.260 CV     1
  ASSI {   46}
    (( segid "    " and resid 14   and name HE1 ))
    (( segid "    " and resid 14   and name HE3 ))
       6.000     4.500     0.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.22331E-04 ppm1     10.321 ppm2      7.798 CV     1
  ASSI {   49}
    (( segid "    " and resid 14   and name HE1 ))
    (( segid "    " and resid 14   and name HD1 ))
       2.300     0.700     0.700 peak    49 spectrum    1 weight  0.10000E+01 volume  0.66071E-02 ppm1     10.311 ppm2      7.223 CV     1
  ASSI {   53}
    (( segid "    " and resid 15   and name HN  ))
    (  segid "    " and resid 15   and name HD% )
       3.400     1.500     1.500 peak    53 spectrum    1 weight  0.10000E+01 volume  0.65118E-03 ppm1      8.933 ppm2      7.105 CV     1
  ASSI {   60}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
       3.100     1.200     1.200 peak    60 spectrum    1 weight  0.10000E+01 volume  0.10419E-02 ppm1      7.749 ppm2      9.682 CV     1
  ASSI {   67}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 6    and name HN  ))
       3.600     1.600     1.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.64166E-03 ppm1      8.521 ppm2      8.864 CV     1
  ASSI {   79}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 3    and name HA  ))
       2.300     2.300     3.700 peak    79 spectrum    1 weight  0.10000E+01 volume  0.11245E-01 ppm1      8.523 ppm2      4.524 CV     1
  ASSI {   87}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 14   and name HE3 ))
       6.000     5.600     0.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.17947E-04 ppm1      8.843 ppm2      7.771 CV     1
  ASSI {   89}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 14   and name HD1 ))
       4.400     2.400     1.600 peak    89 spectrum    1 weight  0.10000E+01 volume  0.22617E-03 ppm1      8.843 ppm2      7.209 CV     1
  ASSI {   90}
    (( segid "    " and resid 14   and name HN  ))
    (  segid "    " and resid 15   and name HE% )
       6.000     4.900     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.15978E-04 ppm1      8.844 ppm2      6.789 CV     1
  ASSI {   93}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 14   and name HA  ))
       2.900     1.000     1.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.17439E-02 ppm1      8.843 ppm2      5.111 CV     1
  ASSI {   96}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 7    and name HN  ))
       3.400     1.500     1.500 peak    96 spectrum    1 weight  0.10000E+01 volume  0.81319E-03 ppm1      8.446 ppm2      8.786 CV     1
  ASSI {  104}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 7    and name HA  ))
       2.200     0.600     0.600 peak   104 spectrum    1 weight  0.10000E+01 volume  0.83225E-02 ppm1      8.446 ppm2      4.603 CV     1
  ASSI {  117}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 8    and name HA  ))
       2.300     0.700     0.700 peak   117 spectrum    1 weight  0.10000E+01 volume  0.55589E-02 ppm1      8.350 ppm2      4.427 CV     1
  ASSI {  124}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
       4.200     2.200     1.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.17852E-03 ppm1      7.757 ppm2      7.015 CV     1
  ASSI {  126}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 19   and name HA2 ))
       2.900     1.000     1.000 peak   126 spectrum    1 weight  0.10000E+01 volume  0.16422E-02 ppm1      7.749 ppm2      4.722 CV     1
  ASSI {  133}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 34   and name HE21))
       3.700     1.700     1.700 peak   133 spectrum    1 weight  0.10000E+01 volume  0.47648E-03 ppm1      8.755 ppm2      7.944 CV     1
  ASSI {  134}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 7    and name HE  ))
       6.000     6.000     0.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.51460E-05 ppm1      8.756 ppm2      7.173 CV     1
  ASSI {  144}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
       3.900     1.900     1.900 peak   144 spectrum    1 weight  0.10000E+01 volume  0.49553E-03 ppm1      8.348 ppm2      9.683 CV     1
  ASSI {  163}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 18   and name HA  ))
       3.900     1.900     1.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.35259E-03 ppm1      8.368 ppm2      5.202 CV     1
  ASSI {  164}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 24   and name HA  ))
       3.100     1.200     1.200 peak   164 spectrum    1 weight  0.10000E+01 volume  0.86086E-03 ppm1      8.368 ppm2      4.767 CV     1
  ASSI {  170}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 46   and name HE1 ))
       6.000     5.900     0.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.11785E-04 ppm1      8.240 ppm2      8.724 CV     1
  ASSI {  180}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 24   and name HA  ))
       2.700     0.900     0.900 peak   180 spectrum    1 weight  0.10000E+01 volume  0.21728E-02 ppm1      8.198 ppm2      4.771 CV     1
  ASSI {  181}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 50   and name HA  ))
       6.000     6.000     0.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.51142E-05 ppm1      8.196 ppm2      4.425 CV     1
  ASSI {  192}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 18   and name HA  ))
       2.700     0.900     0.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.23411E-02 ppm1      8.233 ppm2      5.211 CV     1
  ASSI {  200}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 32   and name HN  ))
       2.900     1.000     1.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.16709E-02 ppm1      7.938 ppm2      8.640 CV     1
  ASSI {  201}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
       4.000     2.000     2.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.15597E-03 ppm1      7.939 ppm2      8.287 CV     1
  ASSI {  209}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 30   and name HA  ))
       3.200     1.300     1.300 peak   209 spectrum    1 weight  0.10000E+01 volume  0.95296E-03 ppm1      7.938 ppm2      4.506 CV     1
  ASSI {  235}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 34   and name HE22))
       5.100     3.300     0.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.56542E-04 ppm1      8.350 ppm2      6.904 CV     1
  ASSI {  248}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 38   and name HA  ))
       5.700     4.000     0.300 peak   248 spectrum    1 weight  0.10000E+01 volume  0.32083E-04 ppm1      8.355 ppm2      5.061 CV     1
  ASSI {  251}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 3    and name HA  ))
       2.300     0.700     0.700 peak   251 spectrum    1 weight  0.10000E+01 volume  0.66389E-02 ppm1      8.349 ppm2      4.534 CV     1
  ASSI {  289}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 27   and name HD22))
       5.700     4.100     0.300 peak   289 spectrum    1 weight  0.10000E+01 volume  0.26016E-04 ppm1      8.115 ppm2      6.298 CV     1
  ASSI {  296}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 10   and name HA  ))
       2.700     0.900     0.900 peak   296 spectrum    1 weight  0.10000E+01 volume  0.23824E-02 ppm1      8.106 ppm2      5.068 CV     1
  ASSI {  300}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 9    and name HA  ))
       2.200     0.600     0.600 peak   300 spectrum    1 weight  0.10000E+01 volume  0.89264E-02 ppm1      8.107 ppm2      4.451 CV     1
  ASSI {  306}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 31   and name HN  ))
       2.800     1.000     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.18646E-02 ppm1      8.660 ppm2      7.837 CV     1
  ASSI {  307}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 12   and name HE  ))
       2.700     2.700     3.300 peak   307 spectrum    1 weight  0.10000E+01 volume  0.16581E-02 ppm1      8.660 ppm2      7.282 CV     1
  ASSI {  308}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
       2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.21124E-02 ppm1      8.660 ppm2      8.261 CV     1
  ASSI {  320}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 12   and name HN  ))
       2.900     1.000     1.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.13342E-02 ppm1      8.118 ppm2      8.579 CV     1
  ASSI {  331}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 37   and name HE21))
       4.300     2.300     1.700 peak   331 spectrum    1 weight  0.10000E+01 volume  0.14739E-03 ppm1      7.677 ppm2      8.009 CV     1
  ASSI {  334}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 40   and name HA  ))
       5.600     3.900     0.400 peak   334 spectrum    1 weight  0.10000E+01 volume  0.61942E-04 ppm1      7.675 ppm2      4.677 CV     1
  ASSI {  335}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 35   and name HA  ))
       2.500     0.800     0.800 peak   335 spectrum    1 weight  0.10000E+01 volume  0.37483E-02 ppm1      7.676 ppm2      3.980 CV     1
  ASSI {  351}
    (( segid "    " and resid 31   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
       6.000     4.900     0.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.14167E-04 ppm1      7.834 ppm2      7.071 CV     1
  ASSI {  353}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 27   and name HA  ))
       6.000     5.800     0.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.64801E-05 ppm1      7.837 ppm2      5.432 CV     1
  ASSI {  354}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
       4.200     2.200     1.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.26270E-03 ppm1      8.201 ppm2      9.534 CV     1
  ASSI {  355}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 28   and name HA  ))
       2.900     1.100     1.100 peak   355 spectrum    1 weight  0.10000E+01 volume  0.16295E-02 ppm1      7.834 ppm2      4.212 CV     1
  ASSI {  374}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
       6.000     4.600     0.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.20489E-04 ppm1      8.478 ppm2      9.776 CV     1
  ASSI {  398}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 45   and name HN  ))
       4.500     2.500     1.500 peak   398 spectrum    1 weight  0.10000E+01 volume  0.17280E-03 ppm1      8.816 ppm2      9.167 CV     1
  ASSI {  399}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 22   and name HN  ))
       2.600     0.800     0.800 peak   399 spectrum    1 weight  0.10000E+01 volume  0.31035E-02 ppm1      8.818 ppm2      8.442 CV     1
  ASSI {  403}
    (( segid "    " and resid 21   and name HN  ))
    (  segid "    " and resid 31   and name HE% )
       6.000     5.000     0.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.16867E-04 ppm1      8.820 ppm2      6.912 CV     1
  ASSI {  412}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 12   and name HE  ))
       4.500     2.500     1.500 peak   412 spectrum    1 weight  0.10000E+01 volume  0.13818E-03 ppm1      8.271 ppm2      7.296 CV     1
  ASSI {  413}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 27   and name HD22))
       6.000     5.700     0.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.11976E-04 ppm1      8.271 ppm2      6.286 CV     1
  ASSI {  414}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 27   and name HA  ))
       4.400     2.400     1.600 peak   414 spectrum    1 weight  0.10000E+01 volume  0.14612E-03 ppm1      8.272 ppm2      5.452 CV     1
  ASSI {  432}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 46   and name HE1 ))
       6.000     6.000     0.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.12579E-04 ppm1      9.095 ppm2      8.741 CV     1
  ASSI {  433}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 48   and name HN  ))
       4.000     2.000     2.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.36848E-03 ppm1      9.090 ppm2      8.170 CV     1
  ASSI {  434}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 46   and name HN  ))
       3.900     1.900     1.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.32083E-03 ppm1      9.090 ppm2      7.233 CV     1
  ASSI {  437}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 32   and name HN  ))
       4.300     2.300     1.700 peak   437 spectrum    1 weight  0.10000E+01 volume  0.15978E-03 ppm1      7.149 ppm2      8.683 CV     1
  ASSI {  439}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 33   and name HN  ))
       2.600     0.800     0.800 peak   439 spectrum    1 weight  0.10000E+01 volume  0.32719E-02 ppm1      7.150 ppm2      7.936 CV     1
  ASSI {  440}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 35   and name HN  ))
       2.500     0.800     0.800 peak   440 spectrum    1 weight  0.10000E+01 volume  0.36848E-02 ppm1      7.150 ppm2      7.677 CV     1
  ASSI {  444}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 30   and name HA  ))
       4.400     2.400     1.600 peak   444 spectrum    1 weight  0.10000E+01 volume  0.13564E-03 ppm1      7.148 ppm2      4.524 CV     1
  ASSI {  446}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 34   and name HA  ))
       3.000     1.100     1.100 peak   446 spectrum    1 weight  0.10000E+01 volume  0.12452E-02 ppm1      7.149 ppm2      3.597 CV     1
  ASSI {  458}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 27   and name HA  ))
       6.000     6.000     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.76871E-05 ppm1      9.300 ppm2      5.466 CV     1
  ASSI {  463}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 4    and name HN  ))
       5.200     3.400     0.800 peak   463 spectrum    1 weight  0.10000E+01 volume  0.33988E-04 ppm1      7.801 ppm2      8.345 CV     1
  ASSI {  472}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 40   and name HA  ))
       3.600     1.600     1.600 peak   472 spectrum    1 weight  0.10000E+01 volume  0.48919E-03 ppm1      7.796 ppm2      4.692 CV     1
  ASSI {  473}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 37   and name HA  ))
       5.900     4.400     0.100 peak   473 spectrum    1 weight  0.10000E+01 volume  0.14993E-04 ppm1      7.807 ppm2      4.360 CV     1
  ASSI {  475}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 35   and name HA  ))
       3.000     1.100     1.100 peak   475 spectrum    1 weight  0.10000E+01 volume  0.13437E-02 ppm1      7.804 ppm2      3.981 CV     1
  ASSI {  483}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 43   and name HN  ))
       5.300     3.500     0.700 peak   483 spectrum    1 weight  0.10000E+01 volume  0.72425E-04 ppm1      7.247 ppm2      8.836 CV     1
  ASSI {  485}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 41   and name HN  ))
       2.500     0.800     0.800 peak   485 spectrum    1 weight  0.10000E+01 volume  0.35895E-02 ppm1      7.246 ppm2      8.182 CV     1
  ASSI {  486}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 39   and name HN  ))
       4.300     2.300     1.700 peak   486 spectrum    1 weight  0.10000E+01 volume  0.10737E-03 ppm1      7.247 ppm2      7.786 CV     1
  ASSI {  489}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 31   and name HZ  ))
       6.000     4.900     0.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.21982E-04 ppm1      7.247 ppm2      6.687 CV     1
  ASSI {  493}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 39   and name HA  ))
       5.700     4.100     0.300 peak   493 spectrum    1 weight  0.10000E+01 volume  0.31638E-04 ppm1      7.245 ppm2      5.024 CV     1
  ASSI {  495}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 42   and name HA  ))
       2.900     1.000     1.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.16899E-02 ppm1      7.246 ppm2      4.170 CV     1
  ASSI {  502}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
       4.900     3.000     1.100 peak   502 spectrum    1 weight  0.10000E+01 volume  0.72742E-04 ppm1      8.633 ppm2      8.281 CV     1
  ASSI {  505}
    (( segid "    " and resid 32   and name HN  ))
    (  segid "    " and resid 31   and name HD% )
       5.000     3.100     1.000 peak   505 spectrum    1 weight  0.10000E+01 volume  0.62577E-04 ppm1      8.676 ppm2      6.741 CV     1
  ASSI {  512}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 21   and name HN  ))
       4.800     2.800     1.200 peak   512 spectrum    1 weight  0.10000E+01 volume  0.10260E-03 ppm1      9.673 ppm2      8.802 CV     1
  ASSI {  513}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 18   and name HN  ))
       4.000     2.000     2.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.33671E-03 ppm1      9.677 ppm2      8.269 CV     1
  ASSI {  539}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 34   and name HE22))
       3.800     1.800     1.800 peak   539 spectrum    1 weight  0.10000E+01 volume  0.31448E-03 ppm1      8.844 ppm2      6.895 CV     1
  ASSI {  559}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 38   and name HA  ))
       2.500     0.800     0.800 peak   559 spectrum    1 weight  0.10000E+01 volume  0.44154E-02 ppm1      7.711 ppm2      5.025 CV     1
  ASSI {  577}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 14   and name HE3 ))
       3.900     1.900     1.900 peak   577 spectrum    1 weight  0.10000E+01 volume  0.18106E-03 ppm1      8.118 ppm2      7.770 CV     1
  ASSI {  579}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 27   and name HN  ))
       5.500     3.700     0.500 peak   579 spectrum    1 weight  0.10000E+01 volume  0.44154E-04 ppm1      8.116 ppm2      7.328 CV     1
  ASSI {  580}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 12   and name HE  ))
       6.000     4.600     0.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.19282E-04 ppm1      8.110 ppm2      7.245 CV     1
  ASSI {  587}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 14   and name HA  ))
       6.000     4.800     0.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.16327E-04 ppm1      8.115 ppm2      5.122 CV     1
  ASSI {  590}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 11   and name HA  ))
       3.400     1.400     1.400 peak   590 spectrum    1 weight  0.10000E+01 volume  0.86721E-03 ppm1      8.120 ppm2      4.492 CV     1
  ASSI {  591}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 12   and name HA  ))
       3.400     3.400     2.600 peak   591 spectrum    1 weight  0.10000E+01 volume  0.43518E-03 ppm1      8.114 ppm2      4.461 CV     1
  ASSI {  640}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 8    and name HN  ))
       2.400     2.400     3.600 peak   640 spectrum    1 weight  0.10000E+01 volume  0.58448E-02 ppm1      8.844 ppm2      8.468 CV     1
  ASSI {  685}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 18   and name HA  ))
       6.000     6.000     0.000 peak   685 spectrum    1 weight  0.10000E+01 volume  0.50507E-06 ppm1      8.354 ppm2      5.230 CV     1
  ASSI {  686}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 25   and name HA  ))
       4.400     2.400     1.600 peak   686 spectrum    1 weight  0.10000E+01 volume  0.15978E-03 ppm1      8.356 ppm2      4.589 CV     1
  ASSI {  697}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
       2.700     0.900     0.900 peak   697 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      8.837 ppm2      9.768 CV     1
  ASSI {  699}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 45   and name HN  ))
       6.000     4.500     0.000 peak   699 spectrum    1 weight  0.10000E+01 volume  0.24459E-04 ppm1      8.837 ppm2      9.187 CV     1
  ASSI {  700}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 44   and name HN  ))
       3.700     1.700     1.700 peak   700 spectrum    1 weight  0.10000E+01 volume  0.44472E-03 ppm1      8.854 ppm2      8.492 CV     1
  ASSI {  703}
    (( segid "    " and resid 43   and name HN  ))
    (  segid "    " and resid 31   and name HE% )
       4.300     2.300     1.700 peak   703 spectrum    1 weight  0.10000E+01 volume  0.15501E-03 ppm1      8.836 ppm2      6.891 CV     1
  ASSI {  724}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 39   and name HN  ))
       3.600     1.600     1.600 peak   724 spectrum    1 weight  0.10000E+01 volume  0.29097E-03 ppm1      8.189 ppm2      7.830 CV     1
  ASSI {  731}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 39   and name HA  ))
       5.000     3.200     1.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.61942E-04 ppm1      8.188 ppm2      5.028 CV     1
  ASSI {  766}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 14   and name HZ2 ))
       6.000     4.900     0.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.19218E-04 ppm1      8.252 ppm2      7.486 CV     1
  ASSI {  771}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 27   and name HD22))
       4.300     2.300     1.700 peak   771 spectrum    1 weight  0.10000E+01 volume  0.14929E-03 ppm1      8.240 ppm2      6.294 CV     1
  ASSI {  784}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 48   and name HA1 ))
       2.400     0.700     0.700 peak   784 spectrum    1 weight  0.10000E+01 volume  0.41295E-02 ppm1      8.251 ppm2      4.503 CV     1
  ASSI {  792}
    (( segid "    " and resid 30   and name HD21))
    (( segid "    " and resid 30   and name HD22))
       1.700     0.400     0.500 peak   792 spectrum    1 weight  0.10000E+01 volume  0.28112E-01 ppm1      7.440 ppm2      7.236 CV     1
  ASSI {  797}
    (( segid "    " and resid 30   and name HD21))
    (( segid "    " and resid 30   and name HA  ))
       3.700     1.700     1.700 peak   797 spectrum    1 weight  0.10000E+01 volume  0.28525E-03 ppm1      7.441 ppm2      4.505 CV     1
  ASSI {  802}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 26   and name HN  ))
       4.300     2.300     1.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.15088E-03 ppm1      7.214 ppm2      9.321 CV     1
  ASSI {  804}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 30   and name HN  ))
       4.100     2.100     1.900 peak   804 spectrum    1 weight  0.10000E+01 volume  0.51460E-03 ppm1      7.213 ppm2      8.656 CV     1
  ASSI {  805}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 10   and name HN  ))
       3.500     3.500     2.500 peak   805 spectrum    1 weight  0.10000E+01 volume  0.36213E-03 ppm1      7.214 ppm2      8.141 CV     1
  ASSI {  817}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 34   and name HA  ))
       5.300     3.500     0.700 peak   817 spectrum    1 weight  0.10000E+01 volume  0.77189E-04 ppm1      7.212 ppm2      3.599 CV     1
  ASSI {  818}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 10   and name HB3 ))
       4.500     2.500     1.500 peak   818 spectrum    1 weight  0.10000E+01 volume  0.80366E-04 ppm1      7.215 ppm2      3.328 CV     1
  ASSI {  847}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 19   and name HA2 ))
       3.500     1.600     1.600 peak   847 spectrum    1 weight  0.10000E+01 volume  0.42565E-03 ppm1      7.706 ppm2      4.733 CV     1
  ASSI {  902}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 38   and name HA  ))
       5.100     3.300     0.900 peak   902 spectrum    1 weight  0.10000E+01 volume  0.87357E-04 ppm1      7.612 ppm2      5.020 CV     1
  ASSI {  904}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 37   and name HA  ))
       2.900     1.000     1.000 peak   904 spectrum    1 weight  0.10000E+01 volume  0.17026E-02 ppm1      7.604 ppm2      4.368 CV     1
  ASSI {  917}
    (( segid "    " and resid 34   and name HE21))
    (( segid "    " and resid 5    and name HN  ))
       6.000     5.500     0.000 peak   917 spectrum    1 weight  0.10000E+01 volume  0.13690E-04 ppm1      7.986 ppm2      8.533 CV     1
  ASSI {  921}
    (( segid "    " and resid 34   and name HE21))
    (( segid "    " and resid 30   and name HD22))
       4.200     2.200     1.800 peak   921 spectrum    1 weight  0.10000E+01 volume  0.12928E-03 ppm1      7.985 ppm2      7.247 CV     1
  ASSI {  947}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 30   and name HD22))
       4.900     3.000     1.100 peak   947 spectrum    1 weight  0.10000E+01 volume  0.46059E-04 ppm1      6.903 ppm2      7.244 CV     1
  ASSI {  963}
    (( segid "    " and resid 37   and name HE22))
    (( segid "    " and resid 34   and name HA  ))
       5.200     3.400     0.800 peak   963 spectrum    1 weight  0.10000E+01 volume  0.63213E-04 ppm1      6.898 ppm2      3.594 CV     1
  ASSI { 1015}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
       3.600     1.600     1.600 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.50824E-03 ppm1      8.434 ppm2      9.730 CV     1
  ASSI { 1016}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 45   and name HN  ))
       5.900     4.300     0.100 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.27445E-04 ppm1      8.438 ppm2      9.197 CV     1
  ASSI { 1019}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 23   and name HN  ))
       2.400     0.700     0.700 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.43518E-02 ppm1      8.435 ppm2      7.751 CV     1
  ASSI { 1025}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 21   and name HA  ))
       3.300     1.400     1.400 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.75919E-03 ppm1      8.433 ppm2      4.513 CV     1
  ASSI { 1029}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 26   and name HN  ))
       2.900     1.000     1.000 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.16327E-02 ppm1      7.341 ppm2      9.305 CV     1
  ASSI { 1030}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 30   and name HN  ))
       3.500     1.600     1.600 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.57495E-03 ppm1      7.342 ppm2      8.663 CV     1
  ASSI { 1031}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
       5.400     3.600     0.600 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.43201E-04 ppm1      7.341 ppm2      8.301 CV     1
  ASSI { 1038}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 27   and name HA  ))
       2.900     1.000     1.000 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.16645E-02 ppm1      7.341 ppm2      5.443 CV     1
  ASSI { 1039}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 14   and name HA  ))
       6.000     6.000     0.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.64801E-05 ppm1      7.340 ppm2      5.097 CV     1
  ASSI { 1041}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 28   and name HA  ))
       3.500     1.500     1.500 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.54318E-03 ppm1      7.341 ppm2      4.202 CV     1
  ASSI { 1045}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 45   and name HN  ))
       4.400     2.400     1.600 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.21283E-03 ppm1      8.475 ppm2      9.221 CV     1
  ASSI { 1049}
    (( segid "    " and resid 44   and name HN  ))
    (  segid "    " and resid 31   and name HE% )
       4.800     2.800     1.200 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.81954E-04 ppm1      8.473 ppm2      6.890 CV     1
  ASSI { 1050}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 31   and name HZ  ))
       3.500     1.500     1.500 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.62260E-03 ppm1      8.477 ppm2      6.673 CV     1
  ASSI { 1055}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 43   and name HA  ))
       2.700     0.900     0.900 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.23379E-02 ppm1      8.476 ppm2      4.794 CV     1
  ASSI { 1058}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
       3.400     1.500     1.500 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.67342E-03 ppm1      9.201 ppm2      9.753 CV     1
  ASSI { 1060}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 45   and name HA  ))
       2.800     1.000     1.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.18964E-02 ppm1      9.202 ppm2      4.191 CV     1
  ASSI { 1061}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 46   and name HB3 ))
       5.100     3.300     0.900 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.68296E-04 ppm1      9.203 ppm2      3.851 CV     1
  ASSI { 1065}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 18   and name HB3 ))
       4.800     2.900     1.200 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.86721E-04 ppm1      9.198 ppm2      2.346 CV     1
  ASSI { 1067}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 17   and name HB  ))
       6.000     6.000     0.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.15883E-05 ppm1      9.203 ppm2      1.756 CV     1
  ASSI { 1069}
    (( segid "    " and resid 45   and name HN  ))
    (  segid "    " and resid 45   and name HB% )
       2.400     0.700     0.700 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.42565E-02 ppm1      9.201 ppm2      1.161 CV     1
  ASSI { 1070}
    (( segid "    " and resid 45   and name HN  ))
    (  segid "    " and resid 17   and name HG2%)
       5.700     4.100     0.300 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.30304E-04 ppm1      9.201 ppm2      0.610 CV     1
  OR { 1070}
    (( segid "    " and resid 45   and name HN  ))
    (  segid "    " and resid 17   and name HG1%)
  ASSI { 1072}
    (( segid "    " and resid 45   and name HN  ))
    (  segid "    " and resid 44   and name HG2%)
       2.900     1.000     1.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.16931E-02 ppm1      9.201 ppm2      0.354 CV     1
  ASSI { 1073}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 44   and name HG12))
       3.500     1.600     1.600 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.33036E-03 ppm1      9.201 ppm2     -0.595 CV     1
  ASSI { 1075}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
       2.800     0.900     0.900 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.20044E-02 ppm1      8.817 ppm2      9.760 CV     1
  ASSI { 1077}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 50   and name HB3 ))
       6.000     6.000     0.000 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.19631E-04 ppm1      9.506 ppm2      3.157 CV     1
  ASSI { 1078}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 25   and name HB3 ))
       2.300     0.600     0.600 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.67660E-02 ppm1      9.505 ppm2      2.835 CV     1
  OR { 1078}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 25   and name HB2 ))
  ASSI { 1081}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 24   and name HA  ))
       2.300     0.700     0.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.51142E-02 ppm1      9.509 ppm2      4.746 CV     1
  ASSI { 1086}
    (( segid "    " and resid 25   and name HN  ))
    (  segid "    " and resid 17   and name HG2%)
       2.900     1.000     1.000 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.17820E-02 ppm1      9.506 ppm2      0.599 CV     1
  ASSI { 1088}
    (( segid "    " and resid 25   and name HN  ))
    (  segid "    " and resid 23   and name HG2%)
       3.500     1.600     1.600 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.33353E-03 ppm1      9.518 ppm2      0.177 CV     1
  ASSI { 1094}
    (( segid "    " and resid 14   and name HE1 ))
    (( segid "    " and resid 16   and name HA  ))
       6.000     6.000     0.000 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.10800E-05 ppm1     10.313 ppm2      4.071 CV     1
  ASSI { 1097}
    (( segid "    " and resid 14   and name HE1 ))
    (( segid "    " and resid 16   and name HD3 ))
       3.700     1.700     1.700 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.34624E-03 ppm1     10.311 ppm2      3.052 CV     1
  ASSI { 1099}
    (( segid "    " and resid 14   and name HE1 ))
    (( segid "    " and resid 49   and name HB2 ))
       4.500     2.600     1.500 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.17185E-03 ppm1     10.313 ppm2      2.006 CV     1
  ASSI { 1102}
    (( segid "    " and resid 14   and name HE1 ))
    (( segid "    " and resid 16   and name HG3 ))
       2.700     0.900     0.900 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.22076E-02 ppm1     10.311 ppm2      1.405 CV     1
  ASSI { 1110}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 15   and name HA  ))
       3.000     1.100     1.100 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.12992E-02 ppm1      8.931 ppm2      4.507 CV     1
  ASSI { 1113}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 16   and name HD3 ))
       3.000     1.100     1.100 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.12897E-02 ppm1      8.934 ppm2      3.060 CV     1
  ASSI { 1116}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 13   and name HB3 ))
       6.000     5.100     0.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.13532E-04 ppm1      8.932 ppm2      2.014 CV     1
  ASSI { 1118}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 16   and name HD2 ))
       3.400     1.500     1.500 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.93388E-03 ppm1      8.935 ppm2      1.139 CV     1
  ASSI { 1119}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 16   and name HB2 ))
       5.300     3.500     0.700 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.64484E-04 ppm1      8.940 ppm2      0.763 CV     1
  ASSI { 1122}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 6    and name HA1 ))
       5.700     4.100     0.300 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.34624E-04 ppm1      8.515 ppm2      3.974 CV     1
  ASSI { 1125}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 4    and name HB3 ))
       3.500     1.500     1.500 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.12230E-02 ppm1      8.523 ppm2      2.985 CV     1
  ASSI { 1128}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 5    and name HB  ))
       2.600     0.800     0.800 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.33671E-02 ppm1      8.524 ppm2      1.984 CV     1
  ASSI { 1130}
    (( segid "    " and resid 5    and name HN  ))
    (  segid "    " and resid 5    and name HG1%)
       2.700     0.900     0.900 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.27318E-02 ppm1      8.524 ppm2      0.962 CV     1
  ASSI { 1132}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 15   and name HA  ))
       4.300     2.300     1.700 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.15597E-03 ppm1      8.844 ppm2      4.557 CV     1
  ASSI { 1135}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 14   and name HB3 ))
       2.300     0.700     0.700 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.57177E-02 ppm1      8.843 ppm2      3.371 CV     1
  ASSI { 1136}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 15   and name HB2 ))
       6.000     6.000     0.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.10451E-05 ppm1      8.847 ppm2      2.811 CV     1
  ASSI { 1138}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 13   and name HG2 ))
       3.500     1.500     1.500 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.64484E-03 ppm1      8.844 ppm2      2.281 CV     1
  ASSI { 1139}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 13   and name HB3 ))
       2.800     1.000     1.000 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.19536E-02 ppm1      8.843 ppm2      2.012 CV     1
  ASSI { 1140}
    (( segid "    " and resid 14   and name HN  ))
    (  segid "    " and resid 11   and name HG2%)
       6.000     5.500     0.000 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.12452E-04 ppm1      8.848 ppm2      1.321 CV     1
  ASSI { 1144}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 34   and name HG2 ))
       5.500     3.800     0.500 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.36530E-04 ppm1      8.449 ppm2      2.067 CV     1
  ASSI { 1146}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 8    and name HG3 ))
       3.300     1.300     1.300 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.11086E-02 ppm1      8.447 ppm2      1.330 CV     1
  ASSI { 1162}
    (( segid "    " and resid 9    and name HN  ))
    (  segid "    " and resid 9    and name HB% )
       2.400     0.700     0.700 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.45424E-02 ppm1      8.350 ppm2      1.322 CV     1
  ASSI { 1165}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 21   and name HB3 ))
       4.600     2.600     1.400 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.98792E-04 ppm1      7.757 ppm2      3.058 CV     1
  ASSI { 1166}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 23   and name HB  ))
       2.300     0.700     0.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.55272E-02 ppm1      7.750 ppm2      2.214 CV     1
  ASSI { 1169}
    (( segid "    " and resid 23   and name HN  ))
    (  segid "    " and resid 23   and name HG1%)
       2.500     0.800     0.800 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.40342E-02 ppm1      7.752 ppm2      0.706 CV     1
  ASSI { 1170}
    (( segid "    " and resid 23   and name HN  ))
    (  segid "    " and resid 23   and name HG2%)
       3.100     1.200     1.200 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.12421E-02 ppm1      7.754 ppm2      0.168 CV     1
  ASSI { 1171}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 7    and name HA  ))
       2.700     0.900     0.900 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.24872E-02 ppm1      8.749 ppm2      4.598 CV     1
  ASSI { 1179}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 7    and name HB2 ))
       2.600     0.900     0.900 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.33353E-02 ppm1      8.751 ppm2      1.737 CV     1
  ASSI { 1185}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 49   and name HA  ))
       2.300     0.600     0.600 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.60354E-02 ppm1      8.369 ppm2      3.947 CV     1
  ASSI { 1189}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 50   and name HB3 ))
       3.500     1.500     1.500 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.13913E-02 ppm1      8.369 ppm2      3.147 CV     1
  ASSI { 1191}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 50   and name HB2 ))
       2.500     0.800     0.800 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.29160E-02 ppm1      8.369 ppm2      2.579 CV     1
  ASSI { 1192}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 49   and name HB3 ))
       3.300     1.400     1.400 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.13564E-02 ppm1      8.369 ppm2      2.218 CV     1
  ASSI { 1194}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 18   and name HB2 ))
       4.200     2.300     1.800 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.14326E-03 ppm1      8.370 ppm2      1.381 CV     1
  ASSI { 1199}
    (( segid "    " and resid 50   and name HN  ))
    (  segid "    " and resid 23   and name HG2%)
       6.000     6.000     0.000 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.49871E-05 ppm1      8.355 ppm2      0.188 CV     1
  ASSI { 1212}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 23   and name HA  ))
       2.100     0.600     0.600 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.10482E-01 ppm1      8.199 ppm2      3.846 CV     1
  ASSI { 1215}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 50   and name HB3 ))
       6.000     5.300     0.000 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.14104E-04 ppm1      8.205 ppm2      3.201 CV     1
  ASSI { 1219}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 50   and name HB2 ))
       4.600     2.600     1.400 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.10482E-03 ppm1      8.186 ppm2      2.569 CV     1
  ASSI { 1222}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 23   and name HB  ))
       3.700     1.700     1.700 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.53683E-03 ppm1      8.197 ppm2      2.213 CV     1
  ASSI { 1226}
    (( segid "    " and resid 24   and name HN  ))
    (  segid "    " and resid 23   and name HG2%)
       2.500     0.800     0.800 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.42883E-02 ppm1      8.199 ppm2      0.167 CV     1
  ASSI { 1234}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 17   and name HA  ))
       2.400     0.700     0.700 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.50824E-02 ppm1      8.234 ppm2      4.182 CV     1
  ASSI { 1236}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 46   and name HB3 ))
       5.000     3.200     1.000 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.80049E-04 ppm1      8.242 ppm2      3.851 CV     1
  ASSI { 1241}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 18   and name HB3 ))
       2.600     0.800     0.800 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.26683E-02 ppm1      8.235 ppm2      2.344 CV     1
  ASSI { 1242}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 17   and name HB  ))
       2.700     0.900     0.900 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.21505E-02 ppm1      8.235 ppm2      1.775 CV     1
  ASSI { 1246}
    (( segid "    " and resid 18   and name HN  ))
    (  segid "    " and resid 17   and name HG2%)
       3.200     1.300     1.300 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.84496E-03 ppm1      8.236 ppm2      0.623 CV     1
  ASSI { 1251}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 33   and name HA  ))
       2.500     0.800     0.800 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.39707E-02 ppm1      7.938 ppm2      3.892 CV     1
  ASSI { 1255}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 36   and name HG3 ))
       5.000     3.100     1.000 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.11689E-03 ppm1      7.937 ppm2      2.478 CV     1
  ASSI { 1257}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
       4.000     2.000     2.000 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.43518E-03 ppm1      7.938 ppm2      1.621 CV     1
  ASSI { 1284}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 5    and name HB  ))
       4.700     2.700     1.300 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.97521E-04 ppm1      8.354 ppm2      1.990 CV     1
  ASSI { 1287}
    (( segid "    " and resid 4    and name HN  ))
    (  segid "    " and resid 1    and name HB% )
       5.200     3.400     0.800 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.50507E-04 ppm1      8.347 ppm2      1.587 CV     1
  ASSI { 1291}
    (( segid "    " and resid 4    and name HN  ))
    (  segid "    " and resid 5    and name HG1%)
       4.400     2.400     1.600 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.14961E-03 ppm1      8.349 ppm2      0.967 CV     1
  ASSI { 1315}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 10   and name HB3 ))
       2.800     1.000     1.000 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.20266E-02 ppm1      8.107 ppm2      3.316 CV     1
  ASSI { 1349}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 30   and name HA  ))
       2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.21092E-02 ppm1      8.660 ppm2      4.502 CV     1
  ASSI { 1350}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 28   and name HD2 ))
       4.100     2.100     1.900 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.14072E-03 ppm1      8.658 ppm2      3.979 CV     1
  ASSI { 1353}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 30   and name HB2 ))
       2.400     0.700     0.700 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.49871E-02 ppm1      8.660 ppm2      2.802 CV     1
  ASSI { 1354}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 28   and name HB3 ))
       5.300     3.500     0.700 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.61942E-04 ppm1      8.660 ppm2      2.489 CV     1
  ASSI { 1359}
    (( segid "    " and resid 30   and name HN  ))
    (  segid "    " and resid 33   and name HB% )
       4.200     2.200     1.800 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.17249E-03 ppm1      8.658 ppm2      1.323 CV     1
  ASSI { 1368}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 27   and name HB2 ))
       5.800     4.200     0.200 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.38118E-04 ppm1      8.117 ppm2      3.191 CV     1
  ASSI { 1373}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 13   and name HG2 ))
       3.900     1.900     1.900 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.37800E-03 ppm1      8.120 ppm2      2.275 CV     1
  ASSI { 1375}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 12   and name HG3 ))
       4.500     2.600     1.500 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.10959E-03 ppm1      8.120 ppm2      1.692 CV     1
  ASSI { 1384}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 34   and name HG3 ))
       3.500     1.500     1.500 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.59083E-03 ppm1      7.676 ppm2      3.101 CV     1
  ASSI { 1386}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 35   and name HB3 ))
       3.000     1.100     1.100 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.39707E-02 ppm1      7.676 ppm2      1.888 CV     1
  ASSI { 1387}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
       3.500     1.500     1.500 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.11944E-02 ppm1      7.676 ppm2      1.646 CV     1
  ASSI { 1389}
    (( segid "    " and resid 35   and name HN  ))
    (  segid "    " and resid 42   and name HD1%)
       4.800     2.900     1.200 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.88947E-04 ppm1      7.676 ppm2      0.619 CV     1
  ASSI { 1391}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 31   and name HB3 ))
       2.300     0.700     0.700 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.57495E-02 ppm1      7.834 ppm2      2.975 CV     1
  ASSI { 1393}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 34   and name HB3 ))
       6.000     6.000     0.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.20425E-05 ppm1      7.834 ppm2      2.178 CV     1
  ASSI { 1396}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
       6.000     6.000     0.000 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.10419E-04 ppm1      7.834 ppm2      1.693 CV     1
  ASSI { 1398}
    (( segid "    " and resid 31   and name HN  ))
    (  segid "    " and resid 33   and name HB% )
       5.800     4.200     0.200 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.27763E-04 ppm1      7.834 ppm2      1.324 CV     1
  ASSI { 1408}
    (( segid "    " and resid 3    and name HN  ))
    (( segid "    " and resid 4    and name HB3 ))
       6.000     4.500     0.000 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.20362E-04 ppm1      8.499 ppm2      2.980 CV     1
  ASSI { 1410}
    (( segid "    " and resid 3    and name HN  ))
    (( segid "    " and resid 3    and name HB2 ))
       2.600     0.900     0.900 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.26809E-02 ppm1      8.495 ppm2      2.613 CV     1
  ASSI { 1426}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 44   and name HG12))
       3.300     1.400     1.400 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.12198E-02 ppm1      8.477 ppm2     -0.591 CV     1
  ASSI { 1435}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 19   and name HA2 ))
       2.900     1.000     1.000 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.14644E-02 ppm1      8.818 ppm2      4.694 CV     1
  ASSI { 1436}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 21   and name HA  ))
       2.700     0.900     0.900 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.23411E-02 ppm1      8.818 ppm2      4.536 CV     1
  ASSI { 1438}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 22   and name HA2 ))
       4.800     2.900     1.200 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.16422E-03 ppm1      8.821 ppm2      3.769 CV     1
  ASSI { 1439}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 21   and name HB3 ))
       3.600     1.600     1.600 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.39707E-03 ppm1      8.819 ppm2      3.053 CV     1
  ASSI { 1441}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 42   and name HB  ))
       4.400     2.500     1.600 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.11277E-03 ppm1      8.820 ppm2      1.939 CV     1
  ASSI { 1442}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 42   and name HG13))
       6.000     6.000     0.000 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.33353E-05 ppm1      8.822 ppm2      1.624 CV     1
  ASSI { 1444}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 18   and name HA  ))
       5.000     3.100     1.000 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.93388E-04 ppm1      7.752 ppm2      5.200 CV     1
  ASSI { 1446}
    (( segid "    " and resid 21   and name HN  ))
    (  segid "    " and resid 42   and name HD1%)
       3.700     1.700     1.700 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.34942E-03 ppm1      8.819 ppm2      0.639 CV     1
  ASSI { 1450}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 29   and name HB2 ))
       2.800     1.000     1.000 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.25158E-02 ppm1      8.271 ppm2      3.050 CV     1
  ASSI { 1451}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 28   and name HB3 ))
       5.000     3.100     1.000 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.10196E-03 ppm1      8.271 ppm2      2.490 CV     1
  ASSI { 1452}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 13   and name HB3 ))
       2.900     2.900     3.100 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.11308E-02 ppm1      8.271 ppm2      1.980 CV     1
  ASSI { 1454}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 12   and name HG3 ))
       4.500     2.600     1.500 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.13913E-03 ppm1      8.270 ppm2      1.668 CV     1
  ASSI { 1455}
    (( segid "    " and resid 29   and name HN  ))
    (  segid "    " and resid 33   and name HB% )
       4.600     2.600     1.400 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.11308E-03 ppm1      8.274 ppm2      1.326 CV     1
  ASSI { 1464}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 12   and name HG3 ))
       2.600     0.800     0.800 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.37483E-02 ppm1      8.578 ppm2      1.710 CV     1
  ASSI { 1465}
    (( segid "    " and resid 12   and name HN  ))
    (  segid "    " and resid 11   and name HG2%)
       3.600     1.700     1.700 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.56860E-03 ppm1      8.578 ppm2      1.334 CV     1
  ASSI { 1467}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 19   and name HA2 ))
       2.500     0.800     0.800 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.48601E-02 ppm1      9.766 ppm2      4.729 CV     1
  ASSI { 1469}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 20   and name HA  ))
       2.400     0.700     0.700 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.53683E-02 ppm1      9.766 ppm2      4.124 CV     1
  ASSI { 1472}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 42   and name HG13))
       4.600     2.600     1.400 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.10927E-03 ppm1      9.767 ppm2      1.628 CV     1
  ASSI { 1474}
    (( segid "    " and resid 20   and name HN  ))
    (  segid "    " and resid 45   and name HB% )
       3.200     1.300     1.300 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.91163E-03 ppm1      9.766 ppm2      1.175 CV     1
  ASSI { 1477}
    (( segid "    " and resid 20   and name HN  ))
    (  segid "    " and resid 44   and name HG2%)
       6.000     4.500     0.000 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.29160E-04 ppm1      9.767 ppm2      0.340 CV     1
  ASSI { 1480}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 46   and name HA  ))
       2.300     0.700     0.700 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.57812E-02 ppm1      9.090 ppm2      4.605 CV     1
  ASSI { 1482}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 46   and name HB3 ))
       3.500     1.500     1.500 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.14897E-02 ppm1      9.090 ppm2      3.810 CV     1
  ASSI { 1483}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 46   and name HB2 ))
       2.700     0.900     0.900 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.22521E-02 ppm1      9.090 ppm2      3.199 CV     1
  ASSI { 1485}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 47   and name HB2 ))
       2.400     0.700     0.700 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.39707E-02 ppm1      9.090 ppm2      2.035 CV     1
  ASSI { 1486}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 18   and name HB2 ))
       6.000     6.000     0.000 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.60672E-06 ppm1      9.092 ppm2      1.381 CV     1
  ASSI { 1487}
    (( segid "    " and resid 47   and name HN  ))
    (  segid "    " and resid 45   and name HB% )
       6.000     6.000     0.000 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.11753E-05 ppm1      9.093 ppm2      1.177 CV     1
  ASSI { 1488}
    (( segid "    " and resid 47   and name HN  ))
    (  segid "    " and resid 17   and name HG1%)
       6.000     4.700     0.000 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.25031E-04 ppm1      9.090 ppm2      0.635 CV     1
  ASSI { 1490}
    (( segid "    " and resid 47   and name HN  ))
    (  segid "    " and resid 44   and name HG2%)
       3.700     1.700     1.700 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.43201E-03 ppm1      9.090 ppm2      0.356 CV     1
  ASSI { 1493}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 34   and name HG3 ))
       3.200     1.300     1.300 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.16295E-02 ppm1      7.150 ppm2      3.109 CV     1
  ASSI { 1495}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 36   and name HG3 ))
       4.600     2.700     1.400 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.14040E-03 ppm1      7.151 ppm2      2.508 CV     1
  ASSI { 1496}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 34   and name HB3 ))
       2.600     0.800     0.800 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.30463E-02 ppm1      7.150 ppm2      2.157 CV     1
  ASSI { 1497}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
       2.900     1.000     1.000 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.15343E-02 ppm1      7.150 ppm2      1.634 CV     1
  ASSI { 1498}
    (( segid "    " and resid 34   and name HN  ))
    (  segid "    " and resid 33   and name HB% )
       2.800     1.000     1.000 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.17534E-02 ppm1      7.150 ppm2      1.326 CV     1
  ASSI { 1505}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 26   and name HA  ))
       2.800     1.000     1.000 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.17916E-02 ppm1      9.305 ppm2      3.669 CV     1
  ASSI { 1515}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 40   and name HD2 ))
       4.800     2.800     1.200 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.10927E-03 ppm1      7.803 ppm2      3.590 CV     1
  ASSI { 1524}
    (( segid "    " and resid 39   and name HN  ))
    (  segid "    " and resid 42   and name HD1%)
       6.000     4.700     0.000 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.20489E-04 ppm1      7.799 ppm2      0.619 CV     1
  ASSI { 1528}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 39   and name HB3 ))
       2.900     2.900     3.100 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.15629E-02 ppm1      7.247 ppm2      2.838 CV     1
  ASSI { 1529}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 39   and name HB2 ))
       4.300     2.300     1.700 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.23252E-03 ppm1      7.249 ppm2      2.446 CV     1
  ASSI { 1530}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 42   and name HB  ))
       3.100     1.200     1.200 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.12833E-02 ppm1      7.247 ppm2      1.955 CV     1
  ASSI { 1531}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 42   and name HG13))
       3.100     1.200     1.200 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.19123E-02 ppm1      7.247 ppm2      1.630 CV     1
  ASSI { 1534}
    (( segid "    " and resid 42   and name HN  ))
    (  segid "    " and resid 42   and name HD1%)
       5.100     3.200     0.900 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.93071E-04 ppm1      7.247 ppm2      0.604 CV     1
  ASSI { 1538}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 29   and name HA  ))
       4.200     2.200     1.800 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.18709E-03 ppm1      8.633 ppm2      4.358 CV     1
  ASSI { 1539}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 32   and name HB3 ))
       2.400     0.700     0.700 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.51460E-02 ppm1      8.633 ppm2      4.038 CV     1
  ASSI { 1540}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 32   and name HA  ))
       2.700     0.900     0.900 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.23760E-02 ppm1      8.633 ppm2      3.796 CV     1
  ASSI { 1543}
    (( segid "    " and resid 27   and name HN  ))
    (  segid "    " and resid 17   and name HG2%)
       3.400     1.400     1.400 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.45107E-03 ppm1      7.342 ppm2      0.599 CV     1
  OR { 1543}
    (( segid "    " and resid 27   and name HN  ))
    (  segid "    " and resid 17   and name HG1%)
  ASSI { 1546}
    (( segid "    " and resid 32   and name HN  ))
    (  segid "    " and resid 33   and name HB% )
       4.600     2.700     1.400 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.15120E-03 ppm1      8.634 ppm2      1.331 CV     1
  ASSI { 1550}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 19   and name HA2 ))
       2.300     0.700     0.700 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.50189E-02 ppm1      9.677 ppm2      4.719 CV     1
  ASSI { 1553}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 23   and name HA  ))
       5.500     3.800     0.500 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.37165E-04 ppm1      9.675 ppm2      3.831 CV     1
  ASSI { 1554}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 25   and name HB3 ))
       6.000     6.000     0.000 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.68296E-05 ppm1      9.677 ppm2      2.852 CV     1
  OR { 1554}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 25   and name HB2 ))
  ASSI { 1555}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 25   and name HB3 ))
       6.000     4.700     0.000 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.28462E-04 ppm1      9.676 ppm2      2.867 CV     1
  ASSI { 1561}
    (( segid "    " and resid 19   and name HN  ))
    (  segid "    " and resid 42   and name HD1%)
       4.100     2.100     1.900 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.26429E-03 ppm1      9.678 ppm2      0.635 CV     1
  ASSI { 1565}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 5    and name HA  ))
       2.200     0.600     0.600 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.74648E-02 ppm1      8.844 ppm2      4.563 CV     1
  ASSI { 1567}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 6    and name HA1 ))
       2.900     1.100     1.100 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.14867E-02 ppm1      8.844 ppm2      3.965 CV     1
  ASSI { 1569}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 6    and name HA2 ))
       2.500     0.800     0.800 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.46377E-02 ppm1      8.844 ppm2      3.068 CV     1
  ASSI { 1572}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 5    and name HB  ))
       3.400     1.500     1.500 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.96249E-03 ppm1      8.844 ppm2      2.011 CV     1
  ASSI { 1576}
    (( segid "    " and resid 6    and name HN  ))
    (  segid "    " and resid 5    and name HG1%)
       2.900     1.000     1.000 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.19472E-02 ppm1      8.844 ppm2      0.964 CV     1
  ASSI { 1578}
    (( segid "    " and resid 6    and name HN  ))
    (  segid "    " and resid 23   and name HG2%)
       6.000     4.900     0.000 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.11086E-04 ppm1      8.843 ppm2      0.192 CV     1
  ASSI { 1589}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 38   and name HB2 ))
       2.300     0.600     0.600 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.65436E-02 ppm1      7.710 ppm2      2.878 CV     1
  ASSI { 1606}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 48   and name HA2 ))
       2.700     0.900     0.900 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.34942E-02 ppm1      8.163 ppm2      3.374 CV     1
  ASSI { 1607}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 27   and name HB2 ))
       2.800     1.000     1.000 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.15533E-02 ppm1      8.115 ppm2      3.135 CV     1
  ASSI { 1612}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 13   and name HG2 ))
       4.600     2.700     1.400 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.65754E-04 ppm1      8.116 ppm2      2.267 CV     1
  ASSI { 1616}
    (( segid "    " and resid 27   and name HD21))
    (  segid "    " and resid 11   and name HG2%)
       3.900     1.900     1.900 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.18392E-03 ppm1      8.116 ppm2      1.329 CV     1
  ASSI { 1683}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 16   and name HA  ))
       2.200     0.600     0.600 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.73695E-02 ppm1      8.358 ppm2      4.107 CV     1
  ASSI { 1684}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 22   and name HA1 ))
       3.700     1.700     1.700 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.35577E-03 ppm1      7.753 ppm2      4.112 CV     1
  ASSI { 1685}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 25   and name HB2 ))
       3.400     1.500     1.500 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.60037E-03 ppm1      8.366 ppm2      2.839 CV     1
  OR { 1685}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 25   and name HB3 ))
  ASSI { 1689}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 16   and name HB3 ))
       3.500     1.500     1.500 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.10610E-02 ppm1      8.358 ppm2      1.016 CV     1
  ASSI { 1691}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 19   and name HA2 ))
       3.200     3.200     2.800 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.14008E-02 ppm1      8.835 ppm2      4.758 CV     1
  ASSI { 1692}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 42   and name HA  ))
       2.300     0.600     0.600 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.70519E-02 ppm1      8.837 ppm2      4.175 CV     1
  ASSI { 1705}
    (( segid "    " and resid 43   and name HN  ))
    (  segid "    " and resid 42   and name HG2%)
       5.000     3.100     1.000 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.13310E-03 ppm1      8.841 ppm2      0.893 CV     1
  ASSI { 1713}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 40   and name HD3 ))
       3.600     1.600     1.600 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.84496E-03 ppm1      8.188 ppm2      3.835 CV     1
  ASSI { 1714}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 40   and name HD2 ))
       3.600     1.600     1.600 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.38753E-03 ppm1      8.179 ppm2      3.582 CV     1
  ASSI { 1716}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 41   and name HB3 ))
       2.600     0.800     0.800 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.50507E-02 ppm1      8.188 ppm2      2.853 CV     1
  ASSI { 1717}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 39   and name HB2 ))
       5.500     3.800     0.500 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.47648E-04 ppm1      8.190 ppm2      2.433 CV     1
  ASSI { 1718}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 36   and name HB2 ))
       3.500     1.500     1.500 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.13373E-02 ppm1      8.232 ppm2      1.934 CV     1
  ASSI { 1719}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 40   and name HG3 ))
       3.300     1.400     1.400 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.12579E-02 ppm1      8.189 ppm2      1.904 CV     1
  ASSI { 1720}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 42   and name HG13))
       4.300     2.300     1.700 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.28716E-03 ppm1      8.192 ppm2      1.621 CV     1
  ASSI { 1721}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 42   and name HG12))
       5.000     3.200     1.000 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.77189E-04 ppm1      8.189 ppm2      1.303 CV     1
  ASSI { 1724}
    (( segid "    " and resid 41   and name HN  ))
    (  segid "    " and resid 42   and name HG2%)
       4.300     2.300     1.700 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.20298E-03 ppm1      8.189 ppm2      0.902 CV     1
  ASSI { 1726}
    (( segid "    " and resid 48   and name HN  ))
    (  segid "    " and resid 17   and name HG1%)
       2.400     0.700     0.700 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.56542E-02 ppm1      8.195 ppm2      0.622 CV     1
  ASSI { 1756}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 49   and name HA  ))
       2.800     1.000     1.000 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.19091E-02 ppm1      8.251 ppm2      3.947 CV     1
  ASSI { 1757}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 48   and name HA2 ))
       2.700     0.900     0.900 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.32401E-02 ppm1      8.251 ppm2      3.378 CV     1
  ASSI { 1759}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 10   and name HB2 ))
       4.700     2.800     1.300 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.12674E-03 ppm1      8.238 ppm2      2.794 CV     1
  ASSI { 1760}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 18   and name HB3 ))
       2.700     2.700     3.300 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.37483E-02 ppm1      8.251 ppm2      2.364 CV     1
  ASSI { 1761}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 49   and name HB2 ))
       3.100     1.200     1.200 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.18837E-02 ppm1      8.251 ppm2      1.994 CV     1
  ASSI { 1762}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 16   and name HG3 ))
       3.300     1.300     1.300 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.10768E-02 ppm1      8.251 ppm2      1.424 CV     1
  ASSI { 1777}
    (( segid "    " and resid 30   and name HD21))
    (( segid "    " and resid 10   and name HB3 ))
       3.600     1.600     1.600 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.30908E-03 ppm1      7.440 ppm2      3.322 CV     1
  ASSI { 1779}
    (( segid "    " and resid 30   and name HD21))
    (( segid "    " and resid 30   and name HB2 ))
       3.000     1.100     1.100 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.14040E-02 ppm1      7.440 ppm2      2.798 CV     1
  ASSI { 1781}
    (( segid "    " and resid 30   and name HD21))
    (( segid "    " and resid 34   and name HG2 ))
       6.000     6.000     0.000 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.68930E-05 ppm1      7.437 ppm2      2.061 CV     1
  ASSI { 1782}
    (( segid "    " and resid 30   and name HD21))
    (( segid "    " and resid 34   and name HB2 ))
       4.900     3.000     1.100 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.53365E-04 ppm1      7.445 ppm2      1.686 CV     1
  ASSI { 1788}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 30   and name HB3 ))
       3.500     1.600     1.600 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.66389E-03 ppm1      7.215 ppm2      3.047 CV     1
  ASSI { 1789}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 30   and name HB2 ))
       3.000     1.100     1.100 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.18741E-02 ppm1      7.214 ppm2      2.799 CV     1
  ASSI { 1791}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 34   and name HB3 ))
       6.000     6.000     0.000 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.71154E-06 ppm1      7.214 ppm2      2.196 CV     1
  ASSI { 1792}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 34   and name HB2 ))
       6.000     4.700     0.000 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.19441E-04 ppm1      7.215 ppm2      1.655 CV     1
  ASSI { 1799}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 44   and name HA  ))
       6.000     4.600     0.000 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.23252E-04 ppm1      7.706 ppm2      3.475 CV     1
  ASSI { 1804}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 39   and name HB2 ))
       6.000     6.000     0.000 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.10133E-04 ppm1      7.710 ppm2      2.482 CV     1
  ASSI { 1806}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 42   and name HG13))
       4.500     2.500     1.500 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.80683E-04 ppm1      7.712 ppm2      1.645 CV     1
  ASSI { 1863}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 38   and name HB3 ))
       4.200     2.200     1.800 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.30717E-03 ppm1      7.605 ppm2      3.028 CV     1
  ASSI { 1866}
    (( segid "    " and resid 37   and name HN  ))
    (  segid "    " and resid 1    and name HB% )
       4.500     2.500     1.500 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.13501E-03 ppm1      7.609 ppm2      1.607 CV     1
  ASSI { 1867}
    (( segid "    " and resid 37   and name HN  ))
    (  segid "    " and resid 33   and name HB% )
       3.700     1.700     1.700 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.44789E-03 ppm1      7.608 ppm2      1.332 CV     1
  ASSI { 1873}
    (( segid "    " and resid 37   and name HE21))
    (( segid "    " and resid 36   and name HG3 ))
       3.600     1.600     1.600 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.43201E-03 ppm1      7.984 ppm2      2.463 CV     1
  ASSI { 1876}
    (( segid "    " and resid 34   and name HE21))
    (( segid "    " and resid 34   and name HB2 ))
       3.500     1.600     1.600 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.43518E-03 ppm1      7.984 ppm2      1.636 CV     1
  ASSI { 1877}
    (( segid "    " and resid 37   and name HE21))
    (  segid "    " and resid 33   and name HB% )
       5.800     4.200     0.200 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.26238E-04 ppm1      7.985 ppm2      1.312 CV     1
  ASSI { 1878}
    (( segid "    " and resid 34   and name HE21))
    (  segid "    " and resid 5    and name HG1%)
       4.300     2.300     1.700 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.10927E-03 ppm1      7.984 ppm2      0.939 CV     1
  ASSI { 1897}
    (( segid "    " and resid 37   and name HE22))
    (( segid "    " and resid 36   and name HG3 ))
       4.100     2.100     1.900 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.13786E-03 ppm1      6.901 ppm2      2.509 CV     1
  ASSI { 1902}
    (( segid "    " and resid 37   and name HE22))
    (  segid "    " and resid 33   and name HB% )
       6.000     5.600     0.000 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.96885E-05 ppm1      6.899 ppm2      1.341 CV     1
  ASSI { 1903}
    (( segid "    " and resid 34   and name HE22))
    (  segid "    " and resid 5    and name HG1%)
       3.700     1.700     1.700 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.27731E-03 ppm1      6.900 ppm2      0.950 CV     1
  ASSI { 1922}
    (( segid "    " and resid 34   and name HE21))
    (( segid "    " and resid 38   and name HB2 ))
       4.100     2.100     1.900 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.17598E-03 ppm1      7.941 ppm2      2.869 CV     1
  ASSI { 1924}
    (( segid "    " and resid 34   and name HE21))
    (( segid "    " and resid 34   and name HG2 ))
       4.300     2.300     1.700 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.14993E-03 ppm1      7.938 ppm2      2.034 CV     1
  ASSI { 1960}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 22   and name HA1 ))
       2.600     0.800     0.800 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.26524E-02 ppm1      8.435 ppm2      4.109 CV     1
  ASSI { 1961}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 22   and name HA2 ))
       2.600     0.800     0.800 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.45107E-02 ppm1      8.435 ppm2      3.729 CV     1
  ASSI { 1964}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 21   and name HB2 ))
       4.800     2.800     1.200 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.12738E-03 ppm1      8.434 ppm2      2.700 CV     1
  ASSI { 1965}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 23   and name HB  ))
       4.100     2.100     1.900 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.31416E-03 ppm1      8.433 ppm2      2.212 CV     1
  ASSI { 1966}
    (( segid "    " and resid 22   and name HN  ))
    (  segid "    " and resid 45   and name HB% )
       5.000     3.200     1.000 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.59401E-04 ppm1      8.433 ppm2      1.169 CV     1
  ASSI { 1972}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 30   and name HB2 ))
       2.600     0.900     0.900 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.43836E-02 ppm1      7.342 ppm2      2.818 CV     1
  ASSI { 1974}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 30   and name HB3 ))
       3.100     1.200     1.200 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.89264E-03 ppm1      7.346 ppm2      3.075 CV     1
  ASSI { 1981}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 43   and name HB  ))
       2.400     0.700     0.700 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.56542E-02 ppm1      8.476 ppm2      4.196 CV     1
  ASSI { 1982}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 44   and name HA  ))
       2.600     0.800     0.800 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.29160E-02 ppm1      8.475 ppm2      3.472 CV     1
  ASSI { 1990}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 44   and name HB  ))
       2.400     0.700     0.700 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.53683E-02 ppm1      8.476 ppm2      1.418 CV     1
  ASSI { 1994}
    (( segid "    " and resid 44   and name HN  ))
    (  segid "    " and resid 44   and name HD1%)
       2.800     1.000     1.000 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.19568E-02 ppm1      8.476 ppm2      0.372 CV     1
  ASSI { 2138}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 42   and name HG13))
       2.800     1.000     1.000 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.20933E-02 ppm1      8.837 ppm2      1.624 CV     1
  ASSI { 2146}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 19   and name HA2 ))
       3.400     1.500     1.500 peak  2146 spectrum    1 weight  0.11000E+01 volume  0.20266E-02 ppm1      9.201 ppm2      4.728 CV     1
  ASSI { 2150}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 23   and name HN  ))
       3.300     1.400     1.400 peak  2150 spectrum    1 weight  0.11000E+01 volume  0.84178E-03 ppm1      8.820 ppm2      7.751 CV     1
  ASSI { 2151}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
       2.900     1.100     1.100 peak  2151 spectrum    1 weight  0.11000E+01 volume  0.14549E-02 ppm1      8.362 ppm2      9.509 CV     1
  ASSI { 2152}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 26   and name HA  ))
       4.800     2.800     1.200 peak  2152 spectrum    1 weight  0.11000E+01 volume  0.10228E-03 ppm1      8.368 ppm2      3.696 CV     1
  ASSI { 2156}
    (( segid "    " and resid 21   and name HN  ))
    (  segid "    " and resid 42   and name HG2%)
       4.100     2.100     1.900 peak  2156 spectrum    1 weight  0.11000E+01 volume  0.19282E-03 ppm1      8.819 ppm2      0.901 CV     1
  ASSI { 2157}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 44   and name HA  ))
       3.600     1.600     1.600 peak  2157 spectrum    1 weight  0.11000E+01 volume  0.62260E-03 ppm1      9.766 ppm2      3.464 CV     1
  ASSI { 2159}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 46   and name HN  ))
       3.100     1.200     1.200 peak  2159 spectrum    1 weight  0.11000E+01 volume  0.10959E-02 ppm1      8.233 ppm2      7.233 CV     1
assign (resid 17 and name HN) (resid 25 and name O) 1.8 0.3 0.3
assign (resid 17 and name  N) (resid 25 and name O) 2.8 0.3 0.3
assign (resid 25 and name HN) (resid 17 and name O) 1.8 0.3 0.3
assign (resid 25 and name  N) (resid 17 and name O) 2.8 0.3 0.3
assign (resid 19 and name HN) (resid 23 and name O) 1.8 0.3 0.3
assign (resid 19 and name  N) (resid 23 and name O) 2.8 0.3 0.3
assign (resid 23 and name HN) (resid 19 and name O) 1.8 0.3 0.3
assign (resid 23 and name  N) (resid 19 and name O) 2.8 0.3 0.3
assign (resid 20 and name HN) (resid 43 and name O) 1.8 0.3 0.3
assign (resid 20 and name  N) (resid 43 and name O) 2.8 0.3 0.3
assign (resid 43 and name HN) (resid 20 and name O) 1.8 0.3 0.3
assign (resid 43 and name  N) (resid 20 and name O) 2.8 0.3 0.3
assign (resid 32 and name HN) (resid 28 and name O) 1.8 0.3 0.3
assign (resid 32 and name  N) (resid 28 and name O) 2.8 0.3 0.3
assign (resid 33 and name HN) (resid 29 and name O) 1.8 0.3 0.3
assign (resid 33 and name  N) (resid 29 and name O) 2.8 0.3 0.3
assign (resid 34 and name HN) (resid 30 and name O) 1.8 0.3 0.3
assign (resid 34 and name  N) (resid 30 and name O) 2.8 0.3 0.3
assign (resid 35 and name HN) (resid 31 and name O) 1.8 0.3 0.3
assign (resid 35 and name  N) (resid 31 and name O) 2.8 0.3 0.3
assign (resid 36 and name HN) (resid 32 and name O) 1.8 0.3 0.3
assign (resid 36 and name  N) (resid 32 and name O) 2.8 0.3 0.3
assign (resid 37 and name HN) (resid 33 and name O) 1.8 0.3 0.3
assign (resid 37 and name  N) (resid 33 and name O) 2.8 0.3 0.3
assign (resid 38 and name HN) (resid 34 and name O) 1.8 0.3 0.3
assign (resid 38 and name  N) (resid 34 and name O) 2.8 0.3 0.3
assign (resid 45 and name HN) (resid 18 and name O) 1.8 0.3 0.3
assign (resid 45 and name  N) (resid 18 and name O) 2.8 0.3 0.3

! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/aymara/aria_calc/CmPI2/pred_edit_36.tab
!
! settings: min phiError=1.0, min psiError=1.0, errorFactor=1.0
!

! Talos derived phi restraint:
assign (resid   2 and name C)
       (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       1.0 -104  20 2

! Talos derived phi restraint:
assign (resid   3 and name C)
       (resid   4 and name N)
       (resid   4 and name CA)
       (resid   4 and name C)
       1.0 -125  25 2

! Talos derived phi restraint:
assign (resid   4 and name C)
       (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       1.0 -116  12 2

! Talos derived phi restraint:
assign (resid   6 and name C)
       (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       1.0 -101  29 2

! Talos derived phi restraint:
assign (resid   7 and name C)
       (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       1.0 -123  20 2

! Talos derived phi restraint:
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -93  15 2

! Talos derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -117  20 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -98  17 2

! Talos derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -110  18 2

! Talos derived phi restraint:
assign (resid  14 and name C)
       (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       1.0 -91  22 2

! Talos derived phi restraint:
assign (resid  15 and name C)
       (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       1.0 -69  11 2

! Talos derived phi restraint:
assign (resid  17 and name C)
       (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       1.0 -124  11 2

! Talos derived phi restraint:
assign (resid  19 and name C)
       (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       1.0 -63   5 2

! Talos derived phi restraint:
assign (resid  20 and name C)
       (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       1.0 -83   9 2

! Talos derived phi restraint:
assign (resid  21 and name C)
       (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       1.0  88   7 2

! Talos derived phi restraint:
assign (resid  22 and name C)
       (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       1.0 -81  24 2

! Talos derived phi restraint:
assign (resid  23 and name C)
       (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       1.0 -103  14 2

! Talos derived phi restraint:
assign (resid  25 and name C)
       (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       1.0 -58  12 2

! Talos derived phi restraint:
assign (resid  27 and name C)
       (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       1.0 -60  12 2

! Talos derived phi restraint:
assign (resid  28 and name C)
       (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       1.0 -71  16 2

! Talos derived phi restraint:
assign (resid  29 and name C)
       (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       1.0 -62   4 2

! Talos derived phi restraint:
assign (resid  30 and name C)
       (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       1.0 -63   2 2

! Talos derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0 -60   3 2

! Talos derived phi restraint:
assign (resid  32 and name C)
       (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       1.0 -64   4 2

! Talos derived phi restraint:
assign (resid  33 and name C)
       (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       1.0 -70   6 2

! Talos derived phi restraint:
assign (resid  34 and name C)
       (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       1.0 -68   9 2

! Talos derived phi restraint:
assign (resid  35 and name C)
       (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       1.0 -77  15 2

! Talos derived phi restraint:
assign (resid  36 and name C)
       (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       1.0 -96  15 2

! Talos derived phi restraint:
assign (resid  39 and name C)
       (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       1.0 -64   8 2

! Talos derived phi restraint:
assign (resid  40 and name C)
       (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       1.0 -87  15 2

! Talos derived phi restraint:
assign (resid  42 and name C)
       (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       1.0 -125  17 2

! Talos derived phi restraint:
assign (resid  43 and name C)
       (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       1.0 -75   9 2

! Talos derived phi restraint:
assign (resid  44 and name C)
       (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       1.0 -81  13 2

! Talos derived phi restraint:
assign (resid  45 and name C)
       (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       1.0 -163   5 2

! Talos derived phi restraint:
assign (resid  46 and name C)
       (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       1.0 -79  14 2

! Talos derived phi restraint:
assign (resid  48 and name C)
       (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       1.0 -79  29 2

! Talos derived psi restraint:
assign (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       (resid   4 and name N)
       1.0 136  19 2

! Talos derived psi restraint:
assign (resid   4 and name N)
       (resid   4 and name CA)
       (resid   4 and name C)
       (resid   5 and name N)
       1.0 131  14 2

! Talos derived psi restraint:
assign (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       (resid   6 and name N)
       1.0 125   7 2

! Talos derived psi restraint:
assign (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       (resid   8 and name N)
       1.0 128  12 2

! Talos derived psi restraint:
assign (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       (resid   9 and name N)
       1.0 138  14 2

! Talos derived psi restraint:
assign (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       (resid  10 and name N)
       1.0 128   7 2

! Talos derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 161  10 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0  -5  24 2

! Talos derived psi restraint:
assign (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       (resid  15 and name N)
       1.0 112  14 2

! Talos derived psi restraint:
assign (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       (resid  16 and name N)
       1.0 124  16 2

! Talos derived psi restraint:
assign (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       (resid  17 and name N)
       1.0 152  12 2

! Talos derived psi restraint:
assign (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       (resid  19 and name N)
       1.0 138  19 2

! Talos derived psi restraint:
assign (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       (resid  21 and name N)
       1.0 -25  12 2

! Talos derived psi restraint:
assign (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       (resid  22 and name N)
       1.0   1   9 2

! Talos derived psi restraint:
assign (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       (resid  23 and name N)
       1.0   9  19 2

! Talos derived psi restraint:
assign (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       (resid  24 and name N)
       1.0 130  10 2

! Talos derived psi restraint:
assign (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       (resid  25 and name N)
       1.0 123   6 2

! Talos derived psi restraint:
assign (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       (resid  27 and name N)
       1.0 -33   7 2

! Talos derived psi restraint:
assign (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       (resid  29 and name N)
       1.0 -26  23 2

! Talos derived psi restraint:
assign (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       (resid  30 and name N)
       1.0 -29  26 2

! Talos derived psi restraint:
assign (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       (resid  31 and name N)
       1.0 -37   7 2

! Talos derived psi restraint:
assign (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       (resid  32 and name N)
       1.0 -43   3 2

! Talos derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0 -41   8 2

! Talos derived psi restraint:
assign (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       (resid  34 and name N)
       1.0 -39   4 2

! Talos derived psi restraint:
assign (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       (resid  35 and name N)
       1.0 -36   4 2

! Talos derived psi restraint:
assign (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       (resid  36 and name N)
       1.0 -44   6 2

! Talos derived psi restraint:
assign (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       (resid  37 and name N)
       1.0 -35   8 2

! Talos derived psi restraint:
assign (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       (resid  38 and name N)
       1.0 -14  20 2

! Talos derived psi restraint:
assign (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       (resid  41 and name N)
       1.0 -19   4 2

! Talos derived psi restraint:
assign (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       (resid  42 and name N)
       1.0  -1  20 2

! Talos derived psi restraint:
assign (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       (resid  44 and name N)
       1.0 157   9 2

! Talos derived psi restraint:
assign (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       (resid  45 and name N)
       1.0 130   9 2

! Talos derived psi restraint:
assign (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       (resid  46 and name N)
       1.0 -43   8 2

! Talos derived psi restraint:
assign (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       (resid  47 and name N)
       1.0 156   7 2

! Talos derived psi restraint:
assign (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       (resid  48 and name N)
       1.0 142  15 2

! Talos derived psi restraint:
assign (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       (resid  50 and name N)
       1.0 137  12 2

 ASSI {    1}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 14   and name HH2 ))
       3.500     1.500     1.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.52409E-03 ppm1      1.089 ppm2      7.151 CV     1
  OR {    1}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {    2}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
       4.200     2.200     1.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.14422E-03 ppm1      7.245 ppm2      9.783 CV     1
  OR {    2}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
  ASSI {    9}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
       4.300     2.300     1.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.13344E-03 ppm1      8.449 ppm2      9.788 CV     1
  OR {    9}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
  ASSI {   13}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 36   and name HN  ))
       3.100     1.200     1.200 peak    13 spectrum    1 weight  0.10000E+01 volume  0.72108E-03 ppm1      1.090 ppm2      8.226 CV     1
  OR {   13}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 24   and name HN  ))
  ASSI {   19}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 16   and name HD3 ))
       2.100     0.500     0.500 peak    19 spectrum    1 weight  0.10000E+01 volume  0.10445E-01 ppm1      4.518 ppm2      3.048 CV     1
  OR {   19}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 21   and name HB3 ))
  OR {   19}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 30   and name HB3 ))
  ASSI {   28}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 18   and name HN  ))
       3.600     1.600     1.600 peak    28 spectrum    1 weight  0.10000E+01 volume  0.47577E-03 ppm1      8.382 ppm2      8.235 CV     1
  OR {   28}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 24   and name HN  ))
  OR {   28}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 49   and name HN  ))
  ASSI {   40}
    (( segid "    " and resid 46   and name HE1 ))
    (( segid "    " and resid 18   and name HN  ))
       4.500     2.600     1.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.10556E-03 ppm1      8.730 ppm2      8.245 CV     1
  OR {   40}
    (( segid "    " and resid 46   and name HE1 ))
    (( segid "    " and resid 49   and name HN  ))
  ASSI {   50}
    (( segid "    " and resid 14   and name HZ3 ))
    (( segid "    " and resid 14   and name HE1 ))
       4.900     3.000     1.100 peak    50 spectrum    1 weight  0.10000E+01 volume  0.65047E-04 ppm1      7.056 ppm2     10.304 CV     1
  OR {   50}
    (  segid "    " and resid 15   and name HD% )
    (( segid "    " and resid 14   and name HE1 ))
  ASSI {   56}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
       5.200     3.300     0.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.62445E-04 ppm1      8.383 ppm2      9.680 CV     1
  OR {   56}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
  ASSI {   57}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
       3.300     1.300     1.300 peak    57 spectrum    1 weight  0.10000E+01 volume  0.70993E-03 ppm1      8.361 ppm2      9.531 CV     1
  OR {   57}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
  ASSI {   58}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
       4.200     2.200     1.800 peak    58 spectrum    1 weight  0.10000E+01 volume  0.18361E-03 ppm1      8.242 ppm2      9.682 CV     1
  OR {   58}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
  ASSI {   59}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
       4.300     2.300     1.700 peak    59 spectrum    1 weight  0.10000E+01 volume  0.16095E-03 ppm1      8.228 ppm2      9.532 CV     1
  OR {   59}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
  ASSI {   71}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 45   and name HN  ))
       5.000     3.100     1.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.63560E-04 ppm1      8.824 ppm2      9.197 CV     1
  OR {   71}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 45   and name HN  ))
  ASSI {   84}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 26   and name HN  ))
       4.400     2.400     1.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.10594E-03 ppm1      7.191 ppm2      9.282 CV     1
  OR {   84}
    (( segid "    " and resid 14   and name HH2 ))
    (( segid "    " and resid 26   and name HN  ))
  ASSI {   89}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 21   and name HN  ))
       2.800     1.000     1.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.13715E-02 ppm1      8.452 ppm2      8.808 CV     1
  OR {   89}
    (( segid "    " and resid 3    and name HN  ))
    (( segid "    " and resid 2    and name HN  ))
  ASSI {   90}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 6    and name HN  ))
       3.000     1.100     1.100 peak    90 spectrum    1 weight  0.10000E+01 volume  0.12377E-02 ppm1      8.504 ppm2      8.839 CV     1
  OR {   90}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 43   and name HN  ))
  ASSI {   92}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 2    and name HN  ))
       5.000     3.100     1.000 peak    92 spectrum    1 weight  0.10000E+01 volume  0.58727E-04 ppm1      8.379 ppm2      8.814 CV     1
  OR {   92}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 6    and name HN  ))
  ASSI {  105}
    (  segid "    " and resid 15   and name HD% )
    (( segid "    " and resid 14   and name HN  ))
       5.000     3.200     1.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.46090E-04 ppm1      7.067 ppm2      8.835 CV     1
  OR {  105}
    (( segid "    " and resid 35   and name HE22))
    (( segid "    " and resid 21   and name HN  ))
  OR {  105}
    (( segid "    " and resid 35   and name HE22))
    (( segid "    " and resid 43   and name HN  ))
  ASSI {  107}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 6    and name HN  ))
       3.500     1.600     1.600 peak   107 spectrum    1 weight  0.10000E+01 volume  0.36910E-03 ppm1      6.894 ppm2      8.845 CV     1
  OR {  107}
    (  segid "    " and resid 31   and name HE% )
    (( segid "    " and resid 43   and name HN  ))
  ASSI {  112}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 27   and name HD21))
       6.000     4.900     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.14682E-04 ppm1      7.342 ppm2      8.128 CV     1
  OR {  112}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 10   and name HN  ))
  ASSI {  115}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 31   and name HN  ))
       4.300     2.300     1.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.15797E-03 ppm1      7.258 ppm2      7.848 CV     1
  OR {  115}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  116}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 35   and name HE21))
       4.200     2.200     1.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.18956E-03 ppm1      7.256 ppm2      7.724 CV     1
  OR {  116}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 35   and name HN  ))
  OR {  116}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 23   and name HN  ))
  ASSI {  122}
    (( segid "    " and resid 7    and name HE  ))
    (( segid "    " and resid 9    and name HN  ))
       4.400     2.500     1.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.74339E-04 ppm1      7.173 ppm2      8.308 CV     1
  OR {  122}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
  OR {  122}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 9    and name HN  ))
  OR {  122}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 4    and name HN  ))
  OR {  122}
    (( segid "    " and resid 14   and name HH2 ))
    (( segid "    " and resid 11   and name HN  ))
  ASSI {  128}
    (  segid "    " and resid 25   and name HD% )
    (( segid "    " and resid 30   and name HN  ))
       4.800     2.900     1.200 peak   128 spectrum    1 weight  0.10000E+01 volume  0.69135E-04 ppm1      7.039 ppm2      8.659 CV     1
  OR {  128}
    (  segid "    " and resid 25   and name HD% )
    (( segid "    " and resid 32   and name HN  ))
  ASSI {  129}
    (  segid "    " and resid 25   and name HD% )
    (( segid "    " and resid 24   and name HN  ))
       4.400     2.400     1.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.82516E-04 ppm1      7.022 ppm2      8.190 CV     1
  OR {  129}
    (( segid "    " and resid 35   and name HE22))
    (( segid "    " and resid 24   and name HN  ))
  OR {  129}
    (  segid "    " and resid 25   and name HD% )
    (( segid "    " and resid 48   and name HN  ))
  OR {  129}
    (( segid "    " and resid 35   and name HE22))
    (( segid "    " and resid 41   and name HN  ))
  OR {  129}
    (( segid "    " and resid 14   and name HZ3 ))
    (( segid "    " and resid 49   and name HN  ))
  ASSI {  134}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 34   and name HE21))
       1.800     0.400     0.400 peak   134 spectrum    1 weight  0.10000E+01 volume  0.16131E-01 ppm1      6.904 ppm2      7.953 CV     1
  OR {  134}
    (( segid "    " and resid 37   and name HE22))
    (( segid "    " and resid 37   and name HE21))
  ASSI {  144}
    (( segid "    " and resid 27   and name HD22))
    (( segid "    " and resid 11   and name HN  ))
       4.000     2.000     2.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.18065E-03 ppm1      6.292 ppm2      8.278 CV     1
  OR {  144}
    (( segid "    " and resid 27   and name HD22))
    (( segid "    " and resid 29   and name HN  ))
  ASSI {  149}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 5    and name HN  ))
       3.200     1.300     1.300 peak   149 spectrum    1 weight  0.10000E+01 volume  0.91439E-03 ppm1      8.359 ppm2      8.496 CV     1
  OR {  149}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 3    and name HN  ))
  OR {  149}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 8    and name HN  ))
  ASSI {  153}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 30   and name HN  ))
       5.000     3.100     1.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.65418E-04 ppm1      8.114 ppm2      8.667 CV     1
  OR {  153}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 30   and name HN  ))
  ASSI {  162}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
       3.900     1.900     1.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.17692E-03 ppm1      7.949 ppm2      8.308 CV     1
  OR {  162}
    (( segid "    " and resid 34   and name HE21))
    (( segid "    " and resid 4    and name HN  ))
  OR {  162}
    (( segid "    " and resid 37   and name HE21))
    (( segid "    " and resid 4    and name HN  ))
  ASSI {  171}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 44   and name HN  ))
       4.700     2.700     1.300 peak   171 spectrum    1 weight  0.10000E+01 volume  0.65418E-04 ppm1      7.682 ppm2      8.453 CV     1
  OR {  171}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 3    and name HN  ))
  OR {  171}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 22   and name HN  ))
  ASSI {  174}
    (( segid "    " and resid 14   and name HZ2 ))
    (( segid "    " and resid 49   and name HN  ))
       4.700     2.800     1.300 peak   174 spectrum    1 weight  0.10000E+01 volume  0.83260E-04 ppm1      7.450 ppm2      8.240 CV     1
  OR {  174}
    (( segid "    " and resid 30   and name HD21))
    (( segid "    " and resid 29   and name HN  ))
  ASSI {  177}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 37   and name HE21))
       3.900     1.900     1.900 peak   177 spectrum    1 weight  0.10000E+01 volume  0.22599E-03 ppm1      7.718 ppm2      7.982 CV     1
  OR {  177}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 33   and name HN  ))
  OR {  177}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 37   and name HE21))
  ASSI {  187}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 30   and name HD21))
       4.700     2.700     1.300 peak   187 spectrum    1 weight  0.10000E+01 volume  0.51294E-04 ppm1      6.932 ppm2      7.455 CV     1
  OR {  187}
    (( segid "    " and resid 37   and name HE22))
    (( segid "    " and resid 30   and name HD21))
  ASSI {  191}
    (  segid "    " and resid 25   and name HE% )
    (  segid "    " and resid 25   and name HD% )
       2.100     0.500     0.500 peak   191 spectrum    1 weight  0.10000E+01 volume  0.60586E-02 ppm1      6.773 ppm2      7.091 CV     1
  OR {  191}
    (  segid "    " and resid 15   and name HE% )
    (  segid "    " and resid 15   and name HD% )
  ASSI {  192}
    (  segid "    " and resid 31   and name HD% )
    (  segid "    " and resid 25   and name HD% )
       2.700     0.900     0.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.14867E-02 ppm1      6.736 ppm2      7.044 CV     1
  OR {  192}
    (  segid "    " and resid 31   and name HD% )
    (( segid "    " and resid 35   and name HE22))
  ASSI {  204}
    (( segid "    " and resid 27   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
       3.900     1.900     1.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.20704E-03 ppm1      5.454 ppm2      7.087 CV     1
  OR {  204}
    (( segid "    " and resid 27   and name HA  ))
    (  segid "    " and resid 15   and name HD% )
  ASSI {  208}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 50   and name HN  ))
       4.100     2.100     1.900 peak   208 spectrum    1 weight  0.10000E+01 volume  0.19142E-03 ppm1      5.213 ppm2      8.378 CV     1
  OR {  208}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
  ASSI {  215}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 14   and name HZ3 ))
       4.300     2.300     1.700 peak   215 spectrum    1 weight  0.10000E+01 volume  0.16912E-03 ppm1      5.122 ppm2      7.064 CV     1
  OR {  215}
    (( segid "    " and resid 14   and name HA  ))
    (  segid "    " and resid 15   and name HD% )
  ASSI {  218}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 34   and name HE22))
       5.100     3.200     0.900 peak   218 spectrum    1 weight  0.10000E+01 volume  0.45347E-04 ppm1      5.028 ppm2      6.885 CV     1
  OR {  218}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 37   and name HE22))
  OR {  218}
    (( segid "    " and resid 39   and name HA  ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  225}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
       3.900     1.900     1.900 peak   225 spectrum    1 weight  0.10000E+01 volume  0.20480E-03 ppm1      4.710 ppm2      8.189 CV     1
  OR {  225}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
  ASSI {  228}
    (( segid "    " and resid 19   and name HA2 ))
    (  segid "    " and resid 25   and name HD% )
       2.900     1.000     1.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.11225E-02 ppm1      4.708 ppm2      7.033 CV     1
  OR {  228}
    (( segid "    " and resid 19   and name HA2 ))
    (( segid "    " and resid 35   and name HE22))
  ASSI {  230}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       3.400     1.400     1.400 peak   230 spectrum    1 weight  0.10000E+01 volume  0.50922E-03 ppm1      4.685 ppm2      7.728 CV     1
  OR {  230}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
  OR {  230}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 35   and name HE21))
  ASSI {  237}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
       3.000     1.200     1.200 peak   237 spectrum    1 weight  0.10000E+01 volume  0.95522E-03 ppm1      4.607 ppm2      7.242 CV     1
  OR {  237}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 30   and name HD22))
  ASSI {  239}
    (( segid "    " and resid 11   and name HB  ))
    (( segid "    " and resid 13   and name HN  ))
       3.700     1.700     1.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.37541E-03 ppm1      4.584 ppm2      8.064 CV     1
  OR {  239}
    (( segid "    " and resid 11   and name HB  ))
    (( segid "    " and resid 10   and name HN  ))
  ASSI {  243}
    (( segid "    " and resid 3    and name HA  ))
    (( segid "    " and resid 3    and name HN  ))
       3.200     1.300     1.300 peak   243 spectrum    1 weight  0.10000E+01 volume  0.65047E-03 ppm1      4.551 ppm2      8.487 CV     1
  OR {  243}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
  ASSI {  255}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 11   and name HN  ))
       2.600     0.900     0.900 peak   255 spectrum    1 weight  0.10000E+01 volume  0.19922E-02 ppm1      4.509 ppm2      8.239 CV     1
  OR {  255}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 49   and name HN  ))
  ASSI {  258}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 14   and name HE3 ))
       4.700     2.800     1.300 peak   258 spectrum    1 weight  0.10000E+01 volume  0.79171E-04 ppm1      4.512 ppm2      7.766 CV     1
  OR {  258}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
  ASSI {  260}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 46   and name HE1 ))
       4.800     2.800     1.200 peak   260 spectrum    1 weight  0.10000E+01 volume  0.87349E-04 ppm1      4.498 ppm2      8.726 CV     1
  OR {  260}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 7    and name HN  ))
  ASSI {  265}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 30   and name HD21))
       4.600     2.700     1.400 peak   265 spectrum    1 weight  0.10000E+01 volume  0.96643E-04 ppm1      4.460 ppm2      7.465 CV     1
  OR {  265}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 30   and name HD21))
  ASSI {  276}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 46   and name HD2 ))
       5.600     3.900     0.400 peak   276 spectrum    1 weight  0.10000E+01 volume  0.20295E-04 ppm1      4.386 ppm2      7.217 CV     1
  OR {  276}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
  OR {  276}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 30   and name HD22))
  ASSI {  278}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       4.200     2.200     1.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.16949E-03 ppm1      4.373 ppm2      7.846 CV     1
  OR {  278}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  279}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       4.000     2.000     2.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.21150E-03 ppm1      4.369 ppm2      7.972 CV     1
  OR {  279}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 37   and name HE21))
  ASSI {  283}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       5.600     3.900     0.400 peak   283 spectrum    1 weight  0.10000E+01 volume  0.33006E-04 ppm1      4.354 ppm2      7.195 CV     1
  OR {  283}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  295}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 11   and name HN  ))
       3.800     3.800     2.200 peak   295 spectrum    1 weight  0.10000E+01 volume  0.32263E-03 ppm1      4.306 ppm2      8.291 CV     1
  OR {  295}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 29   and name HN  ))
  ASSI {  309}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       3.700     1.700     1.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.30739E-03 ppm1      4.214 ppm2      8.667 CV     1
  OR {  309}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
  ASSI {  315}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 14   and name HE3 ))
       3.300     3.300     2.700 peak   315 spectrum    1 weight  0.10000E+01 volume  0.68763E-03 ppm1      4.210 ppm2      7.773 CV     1
  OR {  315}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
  ASSI {  317}
    (( segid "    " and resid 28   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
       3.200     3.200     2.800 peak   317 spectrum    1 weight  0.10000E+01 volume  0.76569E-03 ppm1      4.208 ppm2      7.062 CV     1
  OR {  317}
    (( segid "    " and resid 13   and name HA  ))
    (  segid "    " and resid 15   and name HD% )
  OR {  317}
    (( segid "    " and resid 17   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
  OR {  317}
    (( segid "    " and resid 28   and name HA  ))
    (  segid "    " and resid 15   and name HD% )
  ASSI {  320}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
       2.900     1.000     1.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.13419E-02 ppm1      4.195 ppm2      7.254 CV     1
  OR {  320}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
  ASSI {  324}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
       5.900     4.400     0.100 peak   324 spectrum    1 weight  0.10000E+01 volume  0.41630E-04 ppm1      4.134 ppm2      7.271 CV     1
  OR {  324}
    (( segid "    " and resid 22   and name HA1 ))
    (( segid "    " and resid 46   and name HN  ))
  ASSI {  330}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 14   and name HH2 ))
       5.000     3.100     1.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.59843E-04 ppm1      4.098 ppm2      7.148 CV     1
  OR {  330}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 14   and name HH2 ))
  ASSI {  331}
    (( segid "    " and resid 16   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
       5.600     3.900     0.400 peak   331 spectrum    1 weight  0.10000E+01 volume  0.26614E-04 ppm1      4.097 ppm2      7.067 CV     1
  OR {  331}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 14   and name HZ3 ))
  OR {  331}
    (( segid "    " and resid 16   and name HA  ))
    (  segid "    " and resid 15   and name HD% )
  OR {  331}
    (( segid "    " and resid 24   and name HB  ))
    (  segid "    " and resid 25   and name HD% )
  ASSI {  336}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       6.000     6.000     0.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.32524E-05 ppm1      4.039 ppm2      7.177 CV     1
  OR {  336}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  339}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       2.900     1.100     1.100 peak   339 spectrum    1 weight  0.10000E+01 volume  0.11745E-02 ppm1      3.994 ppm2      7.718 CV     1
  OR {  339}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
  ASSI {  341}
    (( segid "    " and resid 28   and name HD2 ))
    (( segid "    " and resid 12   and name HE  ))
       4.100     2.100     1.900 peak   341 spectrum    1 weight  0.10000E+01 volume  0.15314E-03 ppm1      3.995 ppm2      7.263 CV     1
  OR {  341}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
  ASSI {  342}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       4.200     2.200     1.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.18436E-03 ppm1      3.994 ppm2      7.180 CV     1
  OR {  342}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 14   and name HH2 ))
  ASSI {  344}
    (( segid "    " and resid 6    and name HA1 ))
    (( segid "    " and resid 5    and name HN  ))
       4.800     2.900     1.200 peak   344 spectrum    1 weight  0.10000E+01 volume  0.73967E-04 ppm1      3.988 ppm2      8.536 CV     1
  OR {  344}
    (( segid "    " and resid 6    and name HA1 ))
    (( segid "    " and resid 8    and name HN  ))
  ASSI {  345}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 43   and name HN  ))
       2.900     1.000     1.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.12340E-02 ppm1      3.983 ppm2      8.847 CV     1
  OR {  345}
    (( segid "    " and resid 6    and name HA1 ))
    (( segid "    " and resid 6    and name HN  ))
  ASSI {  362}
    (( segid "    " and resid 23   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
       3.600     3.600     2.400 peak   362 spectrum    1 weight  0.10000E+01 volume  0.36389E-03 ppm1      3.836 ppm2      7.033 CV     1
  OR {  362}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 35   and name HE22))
  ASSI {  369}
    (( segid "    " and resid 43   and name HB  ))
    (( segid "    " and resid 31   and name HZ  ))
       3.800     1.800     1.800 peak   369 spectrum    1 weight  0.10000E+01 volume  0.40143E-03 ppm1      4.209 ppm2      6.672 CV     1
  OR {  369}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 31   and name HZ  ))
  ASSI {  370}
    (( segid "    " and resid 43   and name HB  ))
    (  segid "    " and resid 31   and name HE% )
       4.000     2.000     2.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.21037E-03 ppm1      4.205 ppm2      6.907 CV     1
  OR {  370}
    (( segid "    " and resid 42   and name HA  ))
    (  segid "    " and resid 31   and name HE% )
  OR {  370}
    (( segid "    " and resid 28   and name HA  ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  371}
    (( segid "    " and resid 35   and name HA  ))
    (  segid "    " and resid 31   and name HE% )
       3.500     3.500     2.500 peak   371 spectrum    1 weight  0.10000E+01 volume  0.56497E-03 ppm1      4.035 ppm2      6.906 CV     1
  OR {  371}
    (( segid "    " and resid 32   and name HB3 ))
    (  segid "    " and resid 31   and name HE% )
  OR {  371}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 34   and name HE22))
  OR {  371}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 37   and name HE22))
  ASSI {  372}
    (( segid "    " and resid 32   and name HB3 ))
    (  segid "    " and resid 31   and name HD% )
       3.700     3.700     2.300 peak   372 spectrum    1 weight  0.10000E+01 volume  0.37170E-03 ppm1      4.037 ppm2      6.737 CV     1
  OR {  372}
    (( segid "    " and resid 35   and name HA  ))
    (  segid "    " and resid 31   and name HD% )
  ASSI {  374}
    (( segid "    " and resid 6    and name HA1 ))
    (( segid "    " and resid 34   and name HE22))
       4.000     2.000     2.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.22041E-03 ppm1      3.993 ppm2      6.904 CV     1
  OR {  374}
    (( segid "    " and resid 20   and name HB3 ))
    (  segid "    " and resid 31   and name HE% )
  OR {  374}
    (( segid "    " and resid 35   and name HA  ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  397}
    (( segid "    " and resid 3    and name HB3 ))
    (( segid "    " and resid 3    and name HN  ))
       3.300     1.300     1.300 peak   397 spectrum    1 weight  0.10000E+01 volume  0.65418E-03 ppm1      3.477 ppm2      8.505 CV     1
  OR {  397}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 44   and name HN  ))
  ASSI {  402}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 14   and name HZ2 ))
       4.500     2.500     1.500 peak   402 spectrum    1 weight  0.10000E+01 volume  0.11969E-03 ppm1      3.397 ppm2      7.455 CV     1
  OR {  402}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 30   and name HD21))
  ASSI {  407}
    (( segid "    " and resid 48   and name HA2 ))
    (( segid "    " and resid 49   and name HN  ))
       2.300     0.600     0.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.56126E-02 ppm1      3.390 ppm2      8.246 CV     1
  OR {  407}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 29   and name HN  ))
  ASSI {  410}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 12   and name HE  ))
       2.900     1.100     1.100 peak   410 spectrum    1 weight  0.10000E+01 volume  0.11709E-02 ppm1      3.392 ppm2      7.240 CV     1
  OR {  410}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 14   and name HD1 ))
  ASSI {  413}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 30   and name HD22))
       6.000     6.000     0.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.93665E-05 ppm1      3.321 ppm2      7.246 CV     1
  OR {  413}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 12   and name HE  ))
  ASSI {  423}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 26   and name HN  ))
       4.400     2.500     1.600 peak   423 spectrum    1 weight  0.10000E+01 volume  0.71366E-04 ppm1      3.207 ppm2      9.273 CV     1
  OR {  423}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 26   and name HN  ))
  ASSI {  425}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 35   and name HE22))
       3.300     1.400     1.400 peak   425 spectrum    1 weight  0.10000E+01 volume  0.51666E-03 ppm1      3.210 ppm2      7.044 CV     1
  OR {  425}
    (( segid "    " and resid 31   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
  ASSI {  429}
    (( segid "    " and resid 7    and name HD3 ))
    (( segid "    " and resid 7    and name HE  ))
       2.800     1.000     1.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.18399E-02 ppm1      3.202 ppm2      7.233 CV     1
  OR {  429}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HD1 ))
  OR {  429}
    (( segid "    " and resid 46   and name HB2 ))
    (( segid "    " and resid 46   and name HD2 ))
  ASSI {  430}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 15   and name HN  ))
       3.400     1.400     1.400 peak   430 spectrum    1 weight  0.10000E+01 volume  0.81773E-03 ppm1      3.172 ppm2      8.961 CV     1
  OR {  430}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 15   and name HN  ))
  ASSI {  435}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 34   and name HN  ))
       4.200     2.200     1.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.22450E-03 ppm1      3.083 ppm2      7.178 CV     1
  OR {  435}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  439}
    (( segid "    " and resid 29   and name HB2 ))
    (( segid "    " and resid 12   and name HE  ))
       3.200     1.200     1.200 peak   439 spectrum    1 weight  0.10000E+01 volume  0.64675E-03 ppm1      3.048 ppm2      7.244 CV     1
  OR {  439}
    (( segid "    " and resid 16   and name HD3 ))
    (( segid "    " and resid 14   and name HD1 ))
  ASSI {  441}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 21   and name HN  ))
       2.500     0.800     0.800 peak   441 spectrum    1 weight  0.10000E+01 volume  0.29401E-02 ppm1      3.045 ppm2      8.845 CV     1
  OR {  441}
    (( segid "    " and resid 6    and name HA2 ))
    (( segid "    " and resid 6    and name HN  ))
  ASSI {  446}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 34   and name HN  ))
       3.800     1.800     1.800 peak   446 spectrum    1 weight  0.10000E+01 volume  0.28881E-03 ppm1      3.047 ppm2      7.174 CV     1
  OR {  446}
    (( segid "    " and resid 16   and name HD3 ))
    (( segid "    " and resid 14   and name HH2 ))
  OR {  446}
    (( segid "    " and resid 6    and name HA2 ))
    (( segid "    " and resid 7    and name HE  ))
  OR {  446}
    (( segid "    " and resid 29   and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  448}
    (( segid "    " and resid 31   and name HB3 ))
    (  segid "    " and resid 31   and name HE% )
       3.100     1.200     1.200 peak   448 spectrum    1 weight  0.10000E+01 volume  0.11857E-02 ppm1      3.043 ppm2      6.890 CV     1
  OR {  448}
    (( segid "    " and resid 6    and name HA2 ))
    (( segid "    " and resid 34   and name HE22))
  OR {  448}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 34   and name HE22))
  ASSI {  449}
    (( segid "    " and resid 4    and name HB3 ))
    (( segid "    " and resid 5    and name HN  ))
       2.700     2.700     3.300 peak   449 spectrum    1 weight  0.10000E+01 volume  0.28992E-02 ppm1      3.012 ppm2      8.553 CV     1
  OR {  449}
    (( segid "    " and resid 6    and name HA2 ))
    (( segid "    " and resid 5    and name HN  ))
  ASSI {  454}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 27   and name HN  ))
       3.100     3.100     2.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.12898E-02 ppm1      2.993 ppm2      7.341 CV     1
  OR {  454}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 27   and name HN  ))
  ASSI {  459}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 41   and name HN  ))
       2.800     1.000     1.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.19291E-02 ppm1      2.888 ppm2      8.189 CV     1
  OR {  459}
    (( segid "    " and resid 47   and name HB3 ))
    (( segid "    " and resid 48   and name HN  ))
  ASSI {  462}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 4    and name HN  ))
       2.900     1.000     1.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.14125E-02 ppm1      2.874 ppm2      8.361 CV     1
  OR {  462}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 17   and name HN  ))
  ASSI {  466}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 34   and name HE22))
       3.700     1.700     1.700 peak   466 spectrum    1 weight  0.10000E+01 volume  0.32857E-03 ppm1      2.865 ppm2      6.888 CV     1
  OR {  466}
    (( segid "    " and resid 25   and name HB3 ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  467}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 34   and name HE21))
       3.000     1.100     1.100 peak   467 spectrum    1 weight  0.10000E+01 volume  0.85115E-03 ppm1      2.863 ppm2      7.983 CV     1
  OR {  467}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 37   and name HE21))
  ASSI {  471}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 17   and name HN  ))
       3.900     1.900     1.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.23565E-03 ppm1      2.821 ppm2      8.360 CV     1
  OR {  471}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 9    and name HN  ))
  ASSI {  472}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 26   and name HN  ))
       2.700     0.900     0.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.28397E-02 ppm1      2.813 ppm2      9.305 CV     1
  OR {  472}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 26   and name HN  ))
  ASSI {  475}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 11   and name HN  ))
       4.700     2.800     1.300 peak   475 spectrum    1 weight  0.10000E+01 volume  0.98131E-04 ppm1      2.805 ppm2      8.281 CV     1
  OR {  475}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 29   and name HN  ))
  OR {  475}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 18   and name HN  ))
  ASSI {  479}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HD22))
       2.900     1.000     1.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.15091E-02 ppm1      2.806 ppm2      7.249 CV     1
  OR {  479}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 42   and name HN  ))
  ASSI {  505}
    (( segid "    " and resid 40   and name HD2 ))
    (( segid "    " and resid 39   and name HN  ))
       3.700     1.800     1.800 peak   505 spectrum    1 weight  0.10000E+01 volume  0.38285E-03 ppm1      3.587 ppm2      7.826 CV     1
  OR {  505}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  515}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 27   and name HD22))
       4.000     2.100     2.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.19774E-03 ppm1      2.803 ppm2      6.291 CV     1
  OR {  515}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 27   and name HD22))
  ASSI {  520}
    (( segid "    " and resid 36   and name HG3 ))
    (( segid "    " and resid 38   and name HN  ))
       2.000     2.000     4.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.17470E-01 ppm1      2.456 ppm2      7.712 CV     1
  OR {  520}
    (( segid "    " and resid 36   and name HG3 ))
    (( segid "    " and resid 35   and name HN  ))
  OR {  520}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 38   and name HN  ))
  ASSI {  522}
    (( segid "    " and resid 36   and name HG3 ))
    (( segid "    " and resid 37   and name HE22))
       3.300     3.300     2.700 peak   522 spectrum    1 weight  0.10000E+01 volume  0.85492E-03 ppm1      2.455 ppm2      6.905 CV     1
  OR {  522}
    (( segid "    " and resid 39   and name HB2 ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  545}
    (( segid "    " and resid 23   and name HB  ))
    (  segid "    " and resid 25   and name HD% )
       3.000     3.000     3.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.76197E-03 ppm1      2.224 ppm2      7.082 CV     1
  OR {  545}
    (( segid "    " and resid 49   and name HB3 ))
    (( segid "    " and resid 14   and name HZ3 ))
  ASSI {  546}
    (( segid "    " and resid 23   and name HB  ))
    (  segid "    " and resid 31   and name HD% )
       3.800     1.800     1.800 peak   546 spectrum    1 weight  0.10000E+01 volume  0.21521E-03 ppm1      2.222 ppm2      6.770 CV     1
  OR {  546}
    (( segid "    " and resid 23   and name HB  ))
    (  segid "    " and resid 25   and name HE% )
  ASSI {  549}
    (( segid "    " and resid 23   and name HB  ))
    (( segid "    " and resid 35   and name HE22))
       2.300     2.300     3.700 peak   549 spectrum    1 weight  0.10000E+01 volume  0.39771E-02 ppm1      2.216 ppm2      7.053 CV     1
  OR {  549}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 35   and name HE22))
  ASSI {  552}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 30   and name HD21))
       4.400     2.400     1.600 peak   552 spectrum    1 weight  0.10000E+01 volume  0.11039E-03 ppm1      2.192 ppm2      7.450 CV     1
  OR {  552}
    (( segid "    " and resid 49   and name HB3 ))
    (( segid "    " and resid 14   and name HZ2 ))
  ASSI {  555}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 43   and name HN  ))
       3.000     3.000     3.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.15425E-02 ppm1      2.174 ppm2      8.844 CV     1
  OR {  555}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 21   and name HN  ))
  OR {  555}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 6    and name HN  ))
  ASSI {  556}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HE21))
       4.000     2.000     2.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.26911E-03 ppm1      2.178 ppm2      7.982 CV     1
  OR {  556}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 33   and name HN  ))
  ASSI {  562}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 35   and name HE21))
       2.500     0.800     0.800 peak   562 spectrum    1 weight  0.10000E+01 volume  0.26947E-02 ppm1      2.150 ppm2      7.723 CV     1
  OR {  562}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 35   and name HN  ))
  ASSI {  563}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 30   and name HD22))
       4.000     2.000     2.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.25759E-03 ppm1      2.147 ppm2      7.263 CV     1
  OR {  563}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 42   and name HN  ))
  ASSI {  564}
    (( segid "    " and resid 35   and name HG3 ))
    (  segid "    " and resid 31   and name HE% )
       4.600     2.700     1.400 peak   564 spectrum    1 weight  0.10000E+01 volume  0.10705E-03 ppm1      2.152 ppm2      6.901 CV     1
  OR {  564}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HE22))
  ASSI {  571}
    (( segid "    " and resid 37   and name HB3 ))
    (( segid "    " and resid 37   and name HN  ))
       3.100     1.200     1.200 peak   571 spectrum    1 weight  0.10000E+01 volume  0.89582E-03 ppm1      2.060 ppm2      7.649 CV     1
  OR {  571}
    (( segid "    " and resid 36   and name HB3 ))
    (( segid "    " and resid 37   and name HN  ))
  ASSI {  574}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 34   and name HN  ))
       4.100     2.100     1.900 peak   574 spectrum    1 weight  0.10000E+01 volume  0.30256E-03 ppm1      2.045 ppm2      7.178 CV     1
  OR {  574}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  575}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 34   and name HE21))
       2.800     1.000     1.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.15240E-02 ppm1      2.035 ppm2      7.985 CV     1
  OR {  575}
    (( segid "    " and resid 37   and name HB3 ))
    (( segid "    " and resid 37   and name HE21))
  ASSI {  576}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
       4.000     2.000     2.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.25424E-03 ppm1      2.026 ppm2      7.829 CV     1
  OR {  576}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 39   and name HN  ))
  OR {  576}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 39   and name HN  ))
  OR {  576}
    (( segid "    " and resid 36   and name HB3 ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  577}
    (( segid "    " and resid 35   and name HG2 ))
    (  segid "    " and resid 31   and name HE% )
       2.300     2.300     3.700 peak   577 spectrum    1 weight  0.10000E+01 volume  0.56870E-02 ppm1      2.026 ppm2      6.888 CV     1
  OR {  577}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 34   and name HE22))
  ASSI {  578}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 32   and name HN  ))
       4.300     2.300     1.700 peak   578 spectrum    1 weight  0.10000E+01 volume  0.96643E-04 ppm1      2.012 ppm2      8.662 CV     1
  OR {  578}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 32   and name HN  ))
  OR {  578}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 30   and name HN  ))
  ASSI {  579}
    (( segid "    " and resid 47   and name HB2 ))
    (( segid "    " and resid 48   and name HN  ))
       2.900     1.000     1.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.16540E-02 ppm1      2.013 ppm2      8.165 CV     1
  OR {  579}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 41   and name HN  ))
  ASSI {  582}
    (( segid "    " and resid 35   and name HG2 ))
    (  segid "    " and resid 31   and name HD% )
       3.300     1.300     1.300 peak   582 spectrum    1 weight  0.10000E+01 volume  0.47577E-03 ppm1      2.005 ppm2      6.771 CV     1
  OR {  582}
    (( segid "    " and resid 13   and name HB3 ))
    (  segid "    " and resid 15   and name HE% )
  ASSI {  584}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 14   and name HN  ))
       2.600     2.600     3.400 peak   584 spectrum    1 weight  0.10000E+01 volume  0.32524E-02 ppm1      1.999 ppm2      8.839 CV     1
  OR {  584}
    (( segid "    " and resid 5    and name HB  ))
    (( segid "    " and resid 6    and name HN  ))
  ASSI {  585}
    (( segid "    " and resid 49   and name HB2 ))
    (( segid "    " and resid 14   and name HZ2 ))
       5.300     3.500     0.700 peak   585 spectrum    1 weight  0.10000E+01 volume  0.46462E-04 ppm1      1.999 ppm2      7.453 CV     1
  OR {  585}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 41   and name HD22))
  ASSI {  589}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 36   and name HN  ))
       3.300     1.400     1.400 peak   589 spectrum    1 weight  0.10000E+01 volume  0.10370E-02 ppm1      1.983 ppm2      8.236 CV     1
  OR {  589}
    (( segid "    " and resid 49   and name HB2 ))
    (( segid "    " and resid 49   and name HN  ))
  ASSI {  591}
    (( segid "    " and resid 5    and name HB  ))
    (( segid "    " and resid 34   and name HE21))
       3.700     1.700     1.700 peak   591 spectrum    1 weight  0.10000E+01 volume  0.37170E-03 ppm1      1.960 ppm2      7.959 CV     1
  OR {  591}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 37   and name HE21))
  ASSI {  597}
    (( segid "    " and resid 42   and name HB  ))
    (  segid "    " and resid 31   and name HE% )
       3.300     1.400     1.400 peak   597 spectrum    1 weight  0.10000E+01 volume  0.62073E-03 ppm1      1.953 ppm2      6.903 CV     1
  OR {  597}
    (( segid "    " and resid 5    and name HB  ))
    (( segid "    " and resid 34   and name HE22))
  ASSI {  601}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 42   and name HN  ))
       4.800     2.900     1.200 peak   601 spectrum    1 weight  0.10000E+01 volume  0.62073E-04 ppm1      1.883 ppm2      7.265 CV     1
  OR {  601}
    (( segid "    " and resid 40   and name HG3 ))
    (( segid "    " and resid 42   and name HN  ))
  ASSI {  604}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 39   and name HN  ))
       4.700     2.800     1.300 peak   604 spectrum    1 weight  0.10000E+01 volume  0.96266E-04 ppm1      1.874 ppm2      7.834 CV     1
  OR {  604}
    (( segid "    " and resid 40   and name HG3 ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  608}
    (  segid "    " and resid 47   and name HE% )
    (( segid "    " and resid 48   and name HN  ))
       3.600     1.600     1.600 peak   608 spectrum    1 weight  0.10000E+01 volume  0.41630E-03 ppm1      1.845 ppm2      8.169 CV     1
  OR {  608}
    (( segid "    " and resid 40   and name HG3 ))
    (( segid "    " and resid 41   and name HN  ))
  ASSI {  621}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 8    and name HN  ))
       3.600     1.600     1.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.53524E-03 ppm1      1.741 ppm2      8.515 CV     1
  OR {  621}
    (( segid "    " and resid 8    and name HD3 ))
    (( segid "    " and resid 8    and name HN  ))
  ASSI {  622}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 34   and name HE21))
       4.200     2.200     1.800 peak   622 spectrum    1 weight  0.10000E+01 volume  0.15611E-03 ppm1      1.736 ppm2      7.945 CV     1
  OR {  622}
    (( segid "    " and resid 8    and name HD3 ))
    (( segid "    " and resid 34   and name HE21))
  ASSI {  623}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 34   and name HE22))
       3.900     1.900     1.900 peak   623 spectrum    1 weight  0.10000E+01 volume  0.23454E-03 ppm1      1.737 ppm2      6.907 CV     1
  OR {  623}
    (( segid "    " and resid 8    and name HD3 ))
    (( segid "    " and resid 34   and name HE22))
  ASSI {  624}
    (( segid "    " and resid 34   and name HB2 ))
    (  segid "    " and resid 25   and name HD% )
       3.600     3.600     2.400 peak   624 spectrum    1 weight  0.10000E+01 volume  0.26539E-03 ppm1      1.672 ppm2      7.085 CV     1
  OR {  624}
    (( segid "    " and resid 42   and name HG13))
    (  segid "    " and resid 25   and name HD% )
  OR {  624}
    (( segid "    " and resid 12   and name HG3 ))
    (  segid "    " and resid 15   and name HD% )
  ASSI {  626}
    (( segid "    " and resid 42   and name HG13))
    (  segid "    " and resid 31   and name HD% )
       3.700     1.800     1.800 peak   626 spectrum    1 weight  0.10000E+01 volume  0.20146E-03 ppm1      1.645 ppm2      6.743 CV     1
  OR {  626}
    (( segid "    " and resid 34   and name HB2 ))
    (  segid "    " and resid 31   and name HD% )
  OR {  626}
    (( segid "    " and resid 42   and name HG13))
    (  segid "    " and resid 25   and name HE% )
  ASSI {  630}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 31   and name HN  ))
       4.500     2.500     1.500 peak   630 spectrum    1 weight  0.10000E+01 volume  0.79171E-04 ppm1      1.643 ppm2      7.831 CV     1
  OR {  630}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
  OR {  630}
    (( segid "    " and resid 42   and name HG13))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  631}
    (( segid "    " and resid 42   and name HG13))
    (( segid "    " and resid 42   and name HN  ))
       3.000     1.200     1.200 peak   631 spectrum    1 weight  0.10000E+01 volume  0.13827E-02 ppm1      1.644 ppm2      7.261 CV     1
  OR {  631}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 30   and name HD22))
  ASSI {  632}
    (( segid "    " and resid 42   and name HG13))
    (  segid "    " and resid 31   and name HE% )
       2.800     1.000     1.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.11560E-02 ppm1      1.639 ppm2      6.903 CV     1
  OR {  632}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 34   and name HE22))
  ASSI {  634}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 35   and name HN  ))
       2.900     1.000     1.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.11745E-02 ppm1      1.634 ppm2      7.719 CV     1
  OR {  634}
    (( segid "    " and resid 42   and name HG13))
    (( segid "    " and resid 35   and name HE21))
  ASSI {  635}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
       2.900     1.100     1.100 peak   635 spectrum    1 weight  0.10000E+01 volume  0.12155E-02 ppm1      1.633 ppm2      7.176 CV     1
  OR {  635}
    (( segid "    " and resid 7    and name HG3 ))
    (( segid "    " and resid 7    and name HE  ))
  ASSI {  638}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 34   and name HE21))
       3.000     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.10854E-02 ppm1      1.585 ppm2      7.973 CV     1
  OR {  638}
    (  segid "    " and resid 1    and name HB% )
    (( segid "    " and resid 37   and name HE21))
  OR {  638}
    (( segid "    " and resid 7    and name HG2 ))
    (( segid "    " and resid 34   and name HE21))
  OR {  638}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 33   and name HN  ))
  ASSI {  639}
    (( segid "    " and resid 7    and name HG2 ))
    (( segid "    " and resid 7    and name HE  ))
       4.400     2.400     1.600 peak   639 spectrum    1 weight  0.10000E+01 volume  0.10965E-03 ppm1      1.565 ppm2      7.228 CV     1
  OR {  639}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 30   and name HD22))
  ASSI {  643}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 45   and name HN  ))
       4.100     2.100     1.900 peak   643 spectrum    1 weight  0.10000E+01 volume  0.25052E-03 ppm1      1.423 ppm2      9.196 CV     1
  OR {  643}
    (( segid "    " and resid 44   and name HB  ))
    (( segid "    " and resid 45   and name HN  ))
  ASSI {  645}
    (( segid "    " and resid 16   and name HG3 ))
    (( segid "    " and resid 48   and name HN  ))
       5.600     4.000     0.400 peak   645 spectrum    1 weight  0.10000E+01 volume  0.36091E-04 ppm1      1.418 ppm2      8.165 CV     1
  OR {  645}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 48   and name HN  ))
  OR {  645}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 24   and name HN  ))
  ASSI {  651}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 46   and name HN  ))
       3.300     1.400     1.400 peak   651 spectrum    1 weight  0.10000E+01 volume  0.12564E-02 ppm1      1.388 ppm2      7.242 CV     1
  OR {  651}
    (( segid "    " and resid 16   and name HG3 ))
    (( segid "    " and resid 14   and name HD1 ))
  ASSI {  659}
    (  segid "    " and resid 11   and name HG2%)
    (( segid "    " and resid 14   and name HZ3 ))
       4.700     2.800     1.300 peak   659 spectrum    1 weight  0.10000E+01 volume  0.10259E-03 ppm1      1.329 ppm2      7.059 CV     1
  OR {  659}
    (( segid "    " and resid 42   and name HG12))
    (( segid "    " and resid 35   and name HE22))
  ASSI {  661}
    (( segid "    " and resid 42   and name HG12))
    (( segid "    " and resid 43   and name HN  ))
       2.900     1.100     1.100 peak   661 spectrum    1 weight  0.10000E+01 volume  0.18325E-02 ppm1      1.320 ppm2      8.844 CV     1
  OR {  661}
    (( segid "    " and resid 42   and name HG12))
    (( segid "    " and resid 21   and name HN  ))
  ASSI {  662}
    (( segid "    " and resid 8    and name HG3 ))
    (( segid "    " and resid 7    and name HN  ))
       3.200     3.200     2.800 peak   662 spectrum    1 weight  0.10000E+01 volume  0.51294E-03 ppm1      1.319 ppm2      8.772 CV     1
  OR {  662}
    (  segid "    " and resid 9    and name HB% )
    (( segid "    " and resid 7    and name HN  ))
  OR {  662}
    (  segid "    " and resid 33   and name HB% )
    (( segid "    " and resid 7    and name HN  ))
  ASSI {  663}
    (  segid "    " and resid 33   and name HB% )
    (( segid "    " and resid 32   and name HN  ))
       3.700     1.800     1.800 peak   663 spectrum    1 weight  0.10000E+01 volume  0.32189E-03 ppm1      1.320 ppm2      8.665 CV     1
  OR {  663}
    (  segid "    " and resid 33   and name HB% )
    (( segid "    " and resid 30   and name HN  ))
  ASSI {  664}
    (( segid "    " and resid 8    and name HG3 ))
    (( segid "    " and resid 8    and name HN  ))
       3.300     1.400     1.400 peak   664 spectrum    1 weight  0.10000E+01 volume  0.77312E-03 ppm1      1.323 ppm2      8.514 CV     1
  OR {  664}
    (  segid "    " and resid 9    and name HB% )
    (( segid "    " and resid 8    and name HN  ))
  ASSI {  665}
    (  segid "    " and resid 33   and name HB% )
    (( segid "    " and resid 31   and name HN  ))
       4.900     3.000     1.100 peak   665 spectrum    1 weight  0.10000E+01 volume  0.52409E-04 ppm1      1.322 ppm2      7.846 CV     1
  OR {  665}
    (( segid "    " and resid 42   and name HG12))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  666}
    (( segid "    " and resid 42   and name HG12))
    (( segid "    " and resid 35   and name HE21))
       4.000     2.000     2.000 peak   666 spectrum    1 weight  0.10000E+01 volume  0.27914E-03 ppm1      1.319 ppm2      7.719 CV     1
  OR {  666}
    (  segid "    " and resid 33   and name HB% )
    (( segid "    " and resid 35   and name HN  ))
  ASSI {  669}
    (  segid "    " and resid 33   and name HB% )
    (( segid "    " and resid 37   and name HE22))
       2.900     1.100     1.100 peak   669 spectrum    1 weight  0.10000E+01 volume  0.14719E-02 ppm1      1.323 ppm2      6.905 CV     1
  OR {  669}
    (( segid "    " and resid 42   and name HG12))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  670}
    (( segid "    " and resid 42   and name HG12))
    (  segid "    " and resid 31   and name HD% )
       6.000     4.600     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.11671E-04 ppm1      1.321 ppm2      6.736 CV     1
  OR {  670}
    (  segid "    " and resid 33   and name HB% )
    (  segid "    " and resid 31   and name HD% )
  ASSI {  678}
    (  segid "    " and resid 45   and name HB% )
    (  segid "    " and resid 25   and name HD% )
       3.800     1.800     1.800 peak   678 spectrum    1 weight  0.10000E+01 volume  0.15909E-03 ppm1      1.174 ppm2      7.063 CV     1
  OR {  678}
    (  segid "    " and resid 45   and name HB% )
    (( segid "    " and resid 35   and name HE22))
  OR {  678}
    (  segid "    " and resid 43   and name HG2%)
    (  segid "    " and resid 25   and name HD% )
  ASSI {  679}
    (  segid "    " and resid 43   and name HG2%)
    (  segid "    " and resid 31   and name HE% )
       4.500     2.500     1.500 peak   679 spectrum    1 weight  0.10000E+01 volume  0.85115E-04 ppm1      1.171 ppm2      6.904 CV     1
  OR {  679}
    (  segid "    " and resid 45   and name HB% )
    (  segid "    " and resid 31   and name HE% )
  ASSI {  692}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 14   and name HZ2 ))
       3.600     1.600     1.600 peak   692 spectrum    1 weight  0.10000E+01 volume  0.44232E-03 ppm1      1.093 ppm2      7.451 CV     1
  OR {  692}
    (( segid "    " and resid 16   and name HD2 ))
    (( segid "    " and resid 14   and name HZ2 ))
  ASSI {  695}
    (( segid "    " and resid 16   and name HD2 ))
    (  segid "    " and resid 15   and name HD% )
       3.500     1.500     1.500 peak   695 spectrum    1 weight  0.10000E+01 volume  0.50551E-03 ppm1      1.090 ppm2      7.060 CV     1
  OR {  695}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 35   and name HE22))
  OR {  695}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 14   and name HZ3 ))
  ASSI {  717}
    (  segid "    " and resid 42   and name HG2%)
    (( segid "    " and resid 21   and name HN  ))
       2.600     0.800     0.800 peak   717 spectrum    1 weight  0.10000E+01 volume  0.33267E-02 ppm1      0.911 ppm2      8.835 CV     1
  OR {  717}
    (  segid "    " and resid 42   and name HG2%)
    (( segid "    " and resid 43   and name HN  ))
  ASSI {  728}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 14   and name HZ3 ))
       4.600     2.600     1.400 peak   728 spectrum    1 weight  0.10000E+01 volume  0.11262E-03 ppm1      0.753 ppm2      7.060 CV     1
  OR {  728}
    (( segid "    " and resid 16   and name HB2 ))
    (  segid "    " and resid 25   and name HD% )
  OR {  728}
    (( segid "    " and resid 16   and name HB2 ))
    (  segid "    " and resid 15   and name HD% )
  ASSI {  732}
    (  segid "    " and resid 23   and name HG1%)
    (( segid "    " and resid 21   and name HN  ))
       4.600     2.600     1.400 peak   732 spectrum    1 weight  0.10000E+01 volume  0.82516E-04 ppm1      0.711 ppm2      8.816 CV     1
  OR {  732}
    (  segid "    " and resid 23   and name HG1%)
    (( segid "    " and resid 6    and name HN  ))
  ASSI {  736}
    (  segid "    " and resid 23   and name HG1%)
    (( segid "    " and resid 35   and name HE22))
       4.500     2.500     1.500 peak   736 spectrum    1 weight  0.10000E+01 volume  0.80286E-04 ppm1      0.714 ppm2      7.045 CV     1
  OR {  736}
    (  segid "    " and resid 23   and name HG1%)
    (  segid "    " and resid 25   and name HD% )
  ASSI {  741}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 19   and name HN  ))
       3.200     1.300     1.300 peak   741 spectrum    1 weight  0.10000E+01 volume  0.80658E-03 ppm1      0.627 ppm2      9.681 CV     1
  OR {  741}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 19   and name HN  ))
  ASSI {  742}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 45   and name HN  ))
       3.200     1.300     1.300 peak   742 spectrum    1 weight  0.10000E+01 volume  0.84747E-03 ppm1      0.624 ppm2      9.198 CV     1
  OR {  742}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 45   and name HN  ))
  ASSI {  743}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 21   and name HN  ))
       3.500     1.500     1.500 peak   743 spectrum    1 weight  0.10000E+01 volume  0.44232E-03 ppm1      0.623 ppm2      8.826 CV     1
  OR {  743}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 43   and name HN  ))
  ASSI {  745}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 34   and name HE21))
       3.800     3.800     2.200 peak   745 spectrum    1 weight  0.10000E+01 volume  0.16986E-03 ppm1      0.622 ppm2      7.982 CV     1
  OR {  745}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 33   and name HN  ))
  OR {  745}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 37   and name HE21))
  OR {  745}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 33   and name HN  ))
  ASSI {  746}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 39   and name HN  ))
       2.300     2.300     3.700 peak   746 spectrum    1 weight  0.10000E+01 volume  0.39400E-02 ppm1      0.622 ppm2      7.844 CV     1
  OR {  746}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 31   and name HN  ))
  ASSI {  748}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 42   and name HN  ))
       3.800     1.800     1.800 peak   748 spectrum    1 weight  0.10000E+01 volume  0.36091E-03 ppm1      0.624 ppm2      7.257 CV     1
  OR {  748}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 46   and name HN  ))
  ASSI {  749}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 34   and name HN  ))
       4.700     2.800     1.300 peak   749 spectrum    1 weight  0.10000E+01 volume  0.67277E-04 ppm1      0.625 ppm2      7.178 CV     1
  OR {  749}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 46   and name HD2 ))
  OR {  749}
    (  segid "    " and resid 17   and name HG1%)
    (( segid "    " and resid 46   and name HD2 ))
  OR {  749}
    (  segid "    " and resid 17   and name HG1%)
    (( segid "    " and resid 14   and name HH2 ))
  OR {  749}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 14   and name HH2 ))
  ASSI {  750}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 35   and name HE22))
       2.200     0.600     0.600 peak   750 spectrum    1 weight  0.10000E+01 volume  0.74339E-02 ppm1      0.620 ppm2      7.048 CV     1
  OR {  750}
    (  segid "    " and resid 17   and name HG2%)
    (  segid "    " and resid 25   and name HD% )
  ASSI {  752}
    (  segid "    " and resid 42   and name HD1%)
    (  segid "    " and resid 31   and name HD% )
       2.500     2.500     3.500 peak   752 spectrum    1 weight  0.10000E+01 volume  0.20777E-02 ppm1      0.622 ppm2      6.738 CV     1
  OR {  752}
    (  segid "    " and resid 17   and name HG2%)
    (  segid "    " and resid 31   and name HD% )
  ASSI {  757}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 32   and name HN  ))
       4.400     2.400     1.600 peak   757 spectrum    1 weight  0.10000E+01 volume  0.13344E-03 ppm1      0.587 ppm2      8.667 CV     1
  OR {  757}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 30   and name HN  ))
  ASSI {  788}
    (  segid "    " and resid 23   and name HG2%)
    (( segid "    " and resid 35   and name HE22))
       3.300     1.300     1.300 peak   788 spectrum    1 weight  0.10000E+01 volume  0.46090E-03 ppm1      0.164 ppm2      7.043 CV     1
  OR {  788}
    (  segid "    " and resid 23   and name HG2%)
    (  segid "    " and resid 25   and name HD% )
  ASSI {  793}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 30   and name HB3 ))
       3.000     3.000     3.000 peak   793 spectrum    1 weight  0.10000E+01 volume  0.13419E-02 ppm1      5.456 ppm2      3.058 CV     1
  OR {  793}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 29   and name HB2 ))
  ASSI {  800}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 23   and name HB  ))
       5.300     3.600     0.700 peak   800 spectrum    1 weight  0.10000E+01 volume  0.43488E-04 ppm1      5.211 ppm2      2.216 CV     1
  OR {  800}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 49   and name HB3 ))
  ASSI {  816}
    (( segid "    " and resid 43   and name HA  ))
    (  segid "    " and resid 42   and name HD1%)
       4.100     2.100     1.900 peak   816 spectrum    1 weight  0.10000E+01 volume  0.11782E-03 ppm1      4.804 ppm2      0.602 CV     1
  OR {  816}
    (( segid "    " and resid 43   and name HA  ))
    (  segid "    " and resid 17   and name HG2%)
  ASSI {  825}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 49   and name HB3 ))
       4.200     2.200     1.800 peak   825 spectrum    1 weight  0.10000E+01 volume  0.17098E-03 ppm1      4.779 ppm2      2.207 CV     1
  OR {  825}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 23   and name HB  ))
  ASSI {  830}
    (( segid "    " and resid 2    and name HA  ))
    (( segid "    " and resid 38   and name HB3 ))
       3.900     1.900     1.900 peak   830 spectrum    1 weight  0.10000E+01 volume  0.21967E-03 ppm1      4.772 ppm2      3.067 CV     1
  OR {  830}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 30   and name HB3 ))
  OR {  830}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 21   and name HB3 ))
  ASSI {  836}
    (( segid "    " and resid 2    and name HA  ))
    (( segid "    " and resid 38   and name HB3 ))
       3.400     3.400     2.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.52037E-03 ppm1      4.766 ppm2      3.054 CV     1
  OR {  836}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 30   and name HB3 ))
  ASSI {  838}
    (( segid "    " and resid 19   and name HA2 ))
    (( segid "    " and resid 21   and name HB3 ))
       4.600     2.600     1.400 peak   838 spectrum    1 weight  0.10000E+01 volume  0.81030E-04 ppm1      4.759 ppm2      3.013 CV     1
  OR {  838}
    (( segid "    " and resid 2    and name HA  ))
    (( segid "    " and resid 4    and name HB3 ))
  OR {  838}
    (( segid "    " and resid 19   and name HA2 ))
    (( segid "    " and resid 31   and name HB3 ))
  ASSI {  841}
    (( segid "    " and resid 19   and name HA2 ))
    (( segid "    " and resid 31   and name HA  ))
       2.800     2.800     3.200 peak   841 spectrum    1 weight  0.10000E+01 volume  0.17061E-02 ppm1      4.722 ppm2      3.217 CV     1
  OR {  841}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 31   and name HA  ))
  ASSI {  843}
    (( segid "    " and resid 19   and name HA2 ))
    (( segid "    " and resid 23   and name HB  ))
       4.200     2.200     1.800 peak   843 spectrum    1 weight  0.10000E+01 volume  0.13492E-03 ppm1      4.715 ppm2      2.232 CV     1
  OR {  843}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 49   and name HB3 ))
  ASSI {  848}
    (( segid "    " and resid 19   and name HA2 ))
    (  segid "    " and resid 42   and name HG2%)
       4.600     2.700     1.400 peak   848 spectrum    1 weight  0.10000E+01 volume  0.95522E-04 ppm1      4.692 ppm2      0.911 CV     1
  OR {  848}
    (( segid "    " and resid 41   and name HA  ))
    (  segid "    " and resid 42   and name HG2%)
  OR {  848}
    (( segid "    " and resid 40   and name HA  ))
    (  segid "    " and resid 42   and name HG2%)
  ASSI {  852}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 40   and name HD2 ))
       4.200     2.200     1.800 peak   852 spectrum    1 weight  0.10000E+01 volume  0.16057E-03 ppm1      4.682 ppm2      3.588 CV     1
  OR {  852}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 40   and name HD2 ))
  ASSI {  856}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 40   and name HG3 ))
       2.900     1.100     1.100 peak   856 spectrum    1 weight  0.10000E+01 volume  0.10110E-02 ppm1      4.683 ppm2      1.878 CV     1
  OR {  856}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 35   and name HB3 ))
  ASSI {  865}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 5    and name HB  ))
       2.500     0.800     0.800 peak   865 spectrum    1 weight  0.10000E+01 volume  0.31185E-02 ppm1      4.621 ppm2      2.024 CV     1
  OR {  865}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 47   and name HB2 ))
  ASSI {  869}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 18   and name HB2 ))
       4.300     2.300     1.700 peak   869 spectrum    1 weight  0.10000E+01 volume  0.12898E-03 ppm1      4.617 ppm2      1.406 CV     1
  OR {  869}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 18   and name HB2 ))
  OR {  869}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 44   and name HB  ))
  OR {  869}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 16   and name HG3 ))
  ASSI {  876}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 23   and name HB  ))
       5.100     3.300     0.900 peak   876 spectrum    1 weight  0.10000E+01 volume  0.29066E-04 ppm1      4.583 ppm2      2.224 CV     1
  OR {  876}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 49   and name HB3 ))
  OR {  876}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 23   and name HB  ))
  ASSI {  877}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 34   and name HB3 ))
       3.100     3.100     2.900 peak   877 spectrum    1 weight  0.10000E+01 volume  0.86236E-03 ppm1      4.583 ppm2      2.178 CV     1
  OR {  877}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 34   and name HB3 ))
  OR {  877}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 49   and name HB3 ))
  OR {  877}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 35   and name HG3 ))
  ASSI {  878}
    (( segid "    " and resid 11   and name HB  ))
    (( segid "    " and resid 12   and name HG3 ))
       4.500     2.500     1.500 peak   878 spectrum    1 weight  0.10000E+01 volume  0.11039E-03 ppm1      4.584 ppm2      1.693 CV     1
  OR {  878}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 34   and name HB2 ))
  OR {  878}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 34   and name HB2 ))
  OR {  878}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI {  881}
    (( segid "    " and resid 25   and name HA  ))
    (  segid "    " and resid 17   and name HG2%)
       5.700     4.100     0.300 peak   881 spectrum    1 weight  0.10000E+01 volume  0.27691E-04 ppm1      4.581 ppm2      0.588 CV     1
  OR {  881}
    (( segid "    " and resid 46   and name HA  ))
    (  segid "    " and resid 17   and name HG2%)
  ASSI {  884}
    (( segid "    " and resid 25   and name HA  ))
    (  segid "    " and resid 23   and name HG2%)
       3.600     1.700     1.700 peak   884 spectrum    1 weight  0.10000E+01 volume  0.21632E-03 ppm1      4.579 ppm2      0.166 CV     1
  OR {  884}
    (( segid "    " and resid 5    and name HA  ))
    (  segid "    " and resid 23   and name HG2%)
  ASSI {  889}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 31   and name HB2 ))
       4.100     2.100     1.900 peak   889 spectrum    1 weight  0.10000E+01 volume  0.23862E-03 ppm1      4.527 ppm2      2.584 CV     1
  OR {  889}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 50   and name HB2 ))
  ASSI {  891}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 16   and name HG3 ))
       3.700     1.800     1.800 peak   891 spectrum    1 weight  0.10000E+01 volume  0.51666E-03 ppm1      4.523 ppm2      1.420 CV     1
  OR {  891}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 16   and name HG3 ))
  ASSI {  892}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 16   and name HB3 ))
       2.000     2.000     4.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.24420E-01 ppm1      4.523 ppm2      0.964 CV     1
  OR {  892}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 16   and name HB3 ))
  ASSI {  893}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 31   and name HA  ))
       4.600     2.700     1.400 peak   893 spectrum    1 weight  0.10000E+01 volume  0.75082E-04 ppm1      4.518 ppm2      3.215 CV     1
  OR {  893}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 14   and name HB2 ))
  ASSI {  895}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 18   and name HB3 ))
       4.700     2.800     1.300 peak   895 spectrum    1 weight  0.10000E+01 volume  0.85492E-04 ppm1      4.513 ppm2      2.386 CV     1
  OR {  895}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 18   and name HB3 ))
  ASSI {  896}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 49   and name HB2 ))
       6.000     4.600     0.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.24829E-04 ppm1      4.518 ppm2      1.991 CV     1
  OR {  896}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 13   and name HB3 ))
  OR {  896}
    (( segid "    " and resid 3    and name HA  ))
    (( segid "    " and resid 5    and name HB  ))
  ASSI {  897}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 8    and name HD3 ))
       3.600     3.600     2.400 peak   897 spectrum    1 weight  0.10000E+01 volume  0.25350E-03 ppm1      4.514 ppm2      1.744 CV     1
  OR {  897}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 17   and name HB  ))
  OR {  897}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 17   and name HB  ))
  ASSI {  900}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 30   and name HB2 ))
       2.700     0.900     0.900 peak   900 spectrum    1 weight  0.10000E+01 volume  0.16726E-02 ppm1      4.511 ppm2      2.802 CV     1
  OR {  900}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 15   and name HB2 ))
  ASSI {  903}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 8    and name HB3 ))
       4.900     3.000     1.100 peak   903 spectrum    1 weight  0.10000E+01 volume  0.53152E-04 ppm1      4.497 ppm2      1.570 CV     1
  OR {  903}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 8    and name HB3 ))
  ASSI {  905}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 27   and name HB3 ))
       3.900     1.900     1.900 peak   905 spectrum    1 weight  0.10000E+01 volume  0.25721E-03 ppm1      4.480 ppm2      3.564 CV     1
  OR {  905}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 34   and name HA  ))
  ASSI {  906}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 27   and name HB2 ))
       3.300     3.300     2.700 peak   906 spectrum    1 weight  0.10000E+01 volume  0.88461E-03 ppm1      4.480 ppm2      3.154 CV     1
  OR {  906}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 27   and name HB2 ))
  ASSI {  907}
    (( segid "    " and resid 21   and name HA  ))
    (  segid "    " and resid 42   and name HD1%)
       3.400     1.500     1.500 peak   907 spectrum    1 weight  0.10000E+01 volume  0.43116E-03 ppm1      4.480 ppm2      0.626 CV     1
  OR {  907}
    (( segid "    " and resid 48   and name HA1 ))
    (  segid "    " and resid 17   and name HG1%)
  ASSI {  912}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 30   and name HB2 ))
       3.800     1.800     1.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.35906E-03 ppm1      4.454 ppm2      2.804 CV     1
  OR {  912}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 10   and name HB2 ))
  ASSI {  913}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 34   and name HB3 ))
       2.700     2.700     3.300 peak   913 spectrum    1 weight  0.10000E+01 volume  0.31520E-02 ppm1      4.455 ppm2      2.167 CV     1
  OR {  913}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 34   and name HB3 ))
  ASSI {  938}
    (( segid "    " and resid 10   and name HA  ))
    (  segid "    " and resid 9    and name HB% )
       3.300     1.400     1.400 peak   938 spectrum    1 weight  0.10000E+01 volume  0.50179E-03 ppm1      5.061 ppm2      1.335 CV     1
  OR {  938}
    (( segid "    " and resid 10   and name HA  ))
    (  segid "    " and resid 11   and name HG2%)
  OR {  938}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 42   and name HG12))
  ASSI {  939}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HB3 ))
       2.500     0.800     0.800 peak   939 spectrum    1 weight  0.10000E+01 volume  0.29921E-02 ppm1      5.044 ppm2      2.813 CV     1
  OR {  939}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 10   and name HB2 ))
  ASSI {  943}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 40   and name HB2 ))
       4.300     2.400     1.700 peak   943 spectrum    1 weight  0.10000E+01 volume  0.16057E-03 ppm1      5.036 ppm2      1.998 CV     1
  OR {  943}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 40   and name HB2 ))
  OR {  943}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 5    and name HB  ))
  OR {  943}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 35   and name HG2 ))
  ASSI {  944}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 40   and name HG3 ))
       4.300     2.300     1.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.23194E-03 ppm1      5.036 ppm2      1.894 CV     1
  OR {  944}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 35   and name HB3 ))
  ASSI {  957}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 36   and name HB2 ))
       2.700     2.700     3.300 peak   957 spectrum    1 weight  0.10000E+01 volume  0.13195E-02 ppm1      4.363 ppm2      1.959 CV     1
  OR {  957}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 49   and name HB2 ))
  ASSI {  958}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 10   and name HB2 ))
       4.400     2.400     1.600 peak   958 spectrum    1 weight  0.10000E+01 volume  0.14607E-03 ppm1      4.357 ppm2      2.796 CV     1
  OR {  958}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 30   and name HB2 ))
  ASSI {  978}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 18   and name HB2 ))
       4.000     2.000     2.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.20071E-03 ppm1      4.217 ppm2      1.425 CV     1
  OR {  978}
    (( segid "    " and resid 43   and name HB  ))
    (( segid "    " and resid 44   and name HB  ))
  OR {  978}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 44   and name HB  ))
  ASSI {  979}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 14   and name HB2 ))
       5.700     4.000     0.300 peak   979 spectrum    1 weight  0.10000E+01 volume  0.31594E-04 ppm1      4.214 ppm2      3.212 CV     1
  OR {  979}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 31   and name HA  ))
  ASSI {  982}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 18   and name HB3 ))
       6.000     6.000     0.000 peak   982 spectrum    1 weight  0.10000E+01 volume  0.62073E-05 ppm1      4.205 ppm2      2.330 CV     1
  OR {  982}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 18   and name HB3 ))
  ASSI {  984}
    (( segid "    " and resid 45   and name HA  ))
    (  segid "    " and resid 45   and name HB% )
       2.100     0.600     0.600 peak   984 spectrum    1 weight  0.10000E+01 volume  0.73596E-02 ppm1      4.205 ppm2      1.168 CV     1
  OR {  984}
    (( segid "    " and resid 43   and name HB  ))
    (  segid "    " and resid 43   and name HG2%)
  ASSI {  986}
    (( segid "    " and resid 43   and name HB  ))
    (( segid "    " and resid 44   and name HG12))
       4.300     2.300     1.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.15500E-03 ppm1      4.203 ppm2     -0.603 CV     1
  OR {  986}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 44   and name HG12))
  OR {  986}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 44   and name HG12))
  ASSI {  988}
    (( segid "    " and resid 45   and name HA  ))
    (  segid "    " and resid 44   and name HG2%)
       3.300     1.400     1.400 peak   988 spectrum    1 weight  0.10000E+01 volume  0.70993E-03 ppm1      4.200 ppm2      0.350 CV     1
  OR {  988}
    (( segid "    " and resid 17   and name HA  ))
    (  segid "    " and resid 44   and name HG2%)
  OR {  988}
    (( segid "    " and resid 43   and name HB  ))
    (  segid "    " and resid 44   and name HD1%)
  ASSI {  989}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 25   and name HB2 ))
       5.100     3.200     0.900 peak   989 spectrum    1 weight  0.10000E+01 volume  0.58356E-04 ppm1      4.190 ppm2      2.813 CV     1
  OR {  989}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 25   and name HB2 ))
  OR {  989}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 15   and name HB2 ))
  OR {  989}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 30   and name HB2 ))
  OR {  989}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 39   and name HB3 ))
  ASSI {  990}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 35   and name HG3 ))
       5.200     3.300     0.800 peak   990 spectrum    1 weight  0.10000E+01 volume  0.50179E-04 ppm1      4.189 ppm2      2.159 CV     1
  OR {  990}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 34   and name HB3 ))
  ASSI {  996}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 47   and name HB2 ))
       4.400     2.400     1.600 peak   996 spectrum    1 weight  0.10000E+01 volume  0.15389E-03 ppm1      4.171 ppm2      2.074 CV     1
  OR {  996}
    (( segid "    " and resid 1    and name HA  ))
    (( segid "    " and resid 37   and name HB3 ))
  ASSI { 1002}
    (( segid "    " and resid 24   and name HB  ))
    (  segid "    " and resid 23   and name HG1%)
       5.500     3.800     0.500 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.27914E-04 ppm1      4.142 ppm2      0.720 CV     1
  OR { 1002}
    (( segid "    " and resid 22   and name HA1 ))
    (  segid "    " and resid 23   and name HG1%)
  ASSI { 1008}
    (( segid "    " and resid 22   and name HA1 ))
    (( segid "    " and resid 18   and name HB3 ))
       3.600     1.600     1.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.50922E-03 ppm1      4.133 ppm2      2.352 CV     1
  OR { 1008}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 18   and name HB3 ))
  ASSI { 1015}
    (( segid "    " and resid 1    and name HA  ))
    (( segid "    " and resid 37   and name HB3 ))
       4.200     2.200     1.800 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.15351E-03 ppm1      4.134 ppm2      2.030 CV     1
  OR { 1015}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 35   and name HG2 ))
  ASSI { 1019}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 7    and name HB2 ))
       4.300     2.300     1.700 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.85492E-04 ppm1      4.134 ppm2      1.792 CV     1
  OR { 1019}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 7    and name HB3 ))
  OR { 1019}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 17   and name HB  ))
  ASSI { 1024}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 50   and name HB2 ))
       3.700     1.700     1.700 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.33230E-03 ppm1      4.117 ppm2      2.578 CV     1
  OR { 1024}
    (( segid "    " and resid 22   and name HA1 ))
    (( segid "    " and resid 50   and name HB2 ))
  ASSI { 1027}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 42   and name HG12))
       5.400     3.600     0.600 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.36537E-04 ppm1      4.115 ppm2      1.323 CV     1
  OR { 1027}
    (( segid "    " and resid 16   and name HA  ))
    (  segid "    " and resid 11   and name HG2%)
  OR { 1027}
    (( segid "    " and resid 24   and name HB  ))
    (  segid "    " and resid 9    and name HB% )
  OR { 1027}
    (( segid "    " and resid 22   and name HA1 ))
    (( segid "    " and resid 42   and name HG12))
  OR { 1027}
    (( segid "    " and resid 1    and name HA  ))
    (  segid "    " and resid 33   and name HB% )
  ASSI { 1030}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 49   and name HB3 ))
       3.100     1.200     1.200 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.11894E-02 ppm1      4.110 ppm2      2.182 CV     1
  OR { 1030}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 49   and name HB3 ))
  ASSI { 1033}
    (( segid "    " and resid 22   and name HA1 ))
    (( segid "    " and resid 18   and name HB3 ))
       3.300     3.300     2.700 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.59100E-03 ppm1      4.104 ppm2      2.380 CV     1
  OR { 1033}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 18   and name HB3 ))
  ASSI { 1034}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 49   and name HB3 ))
       3.000     1.100     1.100 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.14161E-02 ppm1      4.103 ppm2      2.236 CV     1
  OR { 1034}
    (( segid "    " and resid 22   and name HA1 ))
    (( segid "    " and resid 23   and name HB  ))
  OR { 1034}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 49   and name HB3 ))
  ASSI { 1036}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 17   and name HB  ))
       4.200     2.200     1.800 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.15537E-03 ppm1      4.102 ppm2      1.789 CV     1
  OR { 1036}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 7    and name HB2 ))
  ASSI { 1038}
    (( segid "    " and resid 24   and name HB  ))
    (  segid "    " and resid 23   and name HG2%)
       4.300     2.300     1.700 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.11151E-03 ppm1      4.104 ppm2      0.164 CV     1
  OR { 1038}
    (( segid "    " and resid 22   and name HA1 ))
    (  segid "    " and resid 23   and name HG2%)
  ASSI { 1041}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 49   and name HB2 ))
       3.700     1.700     1.700 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.36612E-03 ppm1      4.091 ppm2      1.986 CV     1
  OR { 1041}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 49   and name HB2 ))
  ASSI { 1049}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 36   and name HB2 ))
       1.800     1.800     4.200 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.24346E-01 ppm1      4.079 ppm2      1.933 CV     1
  OR { 1049}
    (( segid "    " and resid 22   and name HA1 ))
    (( segid "    " and resid 42   and name HB  ))
  ASSI { 1063}
    (( segid "    " and resid 32   and name HB3 ))
    (  segid "    " and resid 33   and name HB% )
       4.000     2.000     2.000 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.21521E-03 ppm1      4.033 ppm2      1.320 CV     1
  OR { 1063}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 42   and name HG12))
  ASSI { 1066}
    (( segid "    " and resid 28   and name HD2 ))
    (( segid "    " and resid 28   and name HB3 ))
       3.700     1.700     1.700 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.34605E-03 ppm1      3.995 ppm2      2.484 CV     1
  OR { 1066}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 39   and name HB2 ))
  ASSI { 1069}
    (( segid "    " and resid 6    and name HA1 ))
    (( segid "    " and resid 7    and name HB2 ))
       2.500     2.500     3.500 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.38285E-02 ppm1      3.995 ppm2      1.765 CV     1
  OR { 1069}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 17   and name HB  ))
  ASSI { 1070}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 42   and name HG12))
       3.200     1.300     1.300 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.81401E-03 ppm1      3.990 ppm2      1.318 CV     1
  OR { 1070}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 42   and name HG12))
  ASSI { 1072}
    (( segid "    " and resid 35   and name HA  ))
    (  segid "    " and resid 42   and name HD1%)
       3.300     1.400     1.400 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.56870E-03 ppm1      3.993 ppm2      0.623 CV     1
  OR { 1072}
    (( segid "    " and resid 20   and name HB3 ))
    (  segid "    " and resid 42   and name HD1%)
  ASSI { 1075}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 34   and name HB2 ))
       2.900     1.100     1.100 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.17655E-02 ppm1      3.990 ppm2      1.656 CV     1
  OR { 1075}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 42   and name HG13))
  OR { 1075}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 42   and name HG13))
  ASSI { 1081}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 16   and name HB3 ))
       3.700     1.700     1.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.36315E-03 ppm1      3.962 ppm2      0.975 CV     1
  OR { 1081}
    (( segid "    " and resid 6    and name HA1 ))
    (  segid "    " and resid 5    and name HG1%)
  ASSI { 1085}
    (( segid "    " and resid 20   and name HB3 ))
    (  segid "    " and resid 45   and name HB% )
       3.600     1.600     1.600 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.50179E-03 ppm1      3.949 ppm2      1.169 CV     1
  OR { 1085}
    (( segid "    " and resid 20   and name HB3 ))
    (  segid "    " and resid 43   and name HG2%)
  ASSI { 1089}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 42   and name HG13))
       4.800     2.800     1.200 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.10221E-03 ppm1      3.915 ppm2      1.666 CV     1
  OR { 1089}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1095}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 34   and name HG2 ))
       2.900     1.000     1.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.17952E-02 ppm1      3.588 ppm2      2.004 CV     1
  OR { 1095}
    (( segid "    " and resid 40   and name HD2 ))
    (( segid "    " and resid 40   and name HB2 ))
  ASSI { 1097}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 35   and name HB2 ))
       4.000     2.000     2.000 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.23380E-03 ppm1      3.585 ppm2      1.075 CV     1
  OR { 1097}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 16   and name HD2 ))
  ASSI { 1098}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 16   and name HB3 ))
       4.500     2.500     1.500 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.60215E-04 ppm1      3.583 ppm2      0.959 CV     1
  OR { 1098}
    (( segid "    " and resid 34   and name HA  ))
    (  segid "    " and resid 5    and name HG1%)
  ASSI { 1126}
    (( segid "    " and resid 48   and name HA2 ))
    (  segid "    " and resid 17   and name HG1%)
       5.600     3.900     0.400 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.18399E-04 ppm1      3.403 ppm2      0.634 CV     1
  OR { 1126}
    (( segid "    " and resid 14   and name HB3 ))
    (  segid "    " and resid 17   and name HG1%)
  ASSI { 1127}
    (( segid "    " and resid 48   and name HA2 ))
    (( segid "    " and resid 16   and name HG3 ))
       3.100     1.200     1.200 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.14534E-02 ppm1      3.394 ppm2      1.418 CV     1
  OR { 1127}
    (( segid "    " and resid 48   and name HA2 ))
    (( segid "    " and resid 18   and name HB2 ))
  ASSI { 1128}
    (( segid "    " and resid 48   and name HA2 ))
    (( segid "    " and resid 16   and name HD2 ))
       4.500     2.500     1.500 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.15760E-03 ppm1      3.390 ppm2      1.102 CV     1
  OR { 1128}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 16   and name HD2 ))
  OR { 1128}
    (( segid "    " and resid 48   and name HA2 ))
    (  segid "    " and resid 24   and name HG2%)
  ASSI { 1129}
    (( segid "    " and resid 48   and name HA2 ))
    (( segid "    " and resid 16   and name HB3 ))
       4.400     2.400     1.600 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.24086E-03 ppm1      3.389 ppm2      0.973 CV     1
  OR { 1129}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 16   and name HB3 ))
  ASSI { 1130}
    (( segid "    " and resid 14   and name HB3 ))
    (  segid "    " and resid 11   and name HG2%)
       5.000     3.200     1.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.50922E-04 ppm1      3.384 ppm2      1.330 CV     1
  OR { 1130}
    (( segid "    " and resid 37   and name HG3 ))
    (  segid "    " and resid 33   and name HB% )
  OR { 1130}
    (( segid "    " and resid 29   and name HB3 ))
    (  segid "    " and resid 33   and name HB% )
  ASSI { 1135}
    (( segid "    " and resid 10   and name HB3 ))
    (  segid "    " and resid 33   and name HB% )
       3.700     1.700     1.700 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.27134E-03 ppm1      3.318 ppm2      1.336 CV     1
  OR { 1135}
    (( segid "    " and resid 10   and name HB3 ))
    (  segid "    " and resid 9    and name HB% )
  OR { 1135}
    (( segid "    " and resid 10   and name HB3 ))
    (  segid "    " and resid 11   and name HG2%)
  ASSI { 1145}
    (( segid "    " and resid 31   and name HA  ))
    (  segid "    " and resid 33   and name HB% )
       5.100     3.200     0.900 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.43116E-04 ppm1      3.204 ppm2      1.327 CV     1
  OR { 1145}
    (( segid "    " and resid 14   and name HB2 ))
    (  segid "    " and resid 11   and name HG2%)
  ASSI { 1146}
    (( segid "    " and resid 31   and name HA  ))
    (  segid "    " and resid 17   and name HG2%)
       5.000     3.200     1.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.56497E-04 ppm1      3.206 ppm2      0.587 CV     1
  OR { 1146}
    (( segid "    " and resid 46   and name HB2 ))
    (  segid "    " and resid 17   and name HG2%)
  ASSI { 1150}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 16   and name HB3 ))
       4.200     2.200     1.800 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.12191E-03 ppm1      3.193 ppm2      0.967 CV     1
  OR { 1150}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 16   and name HB3 ))
  ASSI { 1151}
    (( segid "    " and resid 46   and name HB2 ))
    (  segid "    " and resid 44   and name HG2%)
       5.100     3.300     0.900 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.51666E-04 ppm1      3.194 ppm2      0.348 CV     1
  OR { 1151}
    (( segid "    " and resid 31   and name HA  ))
    (  segid "    " and resid 44   and name HD1%)
  ASSI { 1152}
    (( segid "    " and resid 50   and name HB3 ))
    (  segid "    " and resid 24   and name HG2%)
       4.200     2.200     1.800 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.11449E-03 ppm1      3.173 ppm2      1.107 CV     1
  OR { 1152}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 16   and name HD2 ))
  OR { 1152}
    (( segid "    " and resid 7    and name HD3 ))
    (  segid "    " and resid 24   and name HG2%)
  ASSI { 1153}
    (( segid "    " and resid 50   and name HB3 ))
    (( segid "    " and resid 49   and name HB3 ))
       3.700     1.700     1.700 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.19402E-03 ppm1      3.147 ppm2      2.222 CV     1
  OR { 1153}
    (( segid "    " and resid 50   and name HB3 ))
    (( segid "    " and resid 23   and name HB  ))
  ASSI { 1165}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 42   and name HB  ))
       4.800     2.900     1.200 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.65790E-04 ppm1      3.045 ppm2      1.966 CV     1
  OR { 1165}
    (( segid "    " and resid 6    and name HA2 ))
    (( segid "    " and resid 5    and name HB  ))
  OR { 1165}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 5    and name HB  ))
  ASSI { 1166}
    (( segid "    " and resid 29   and name HB2 ))
    (  segid "    " and resid 33   and name HB% )
       3.300     1.400     1.400 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.62073E-03 ppm1      3.044 ppm2      1.318 CV     1
  OR { 1166}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 42   and name HG12))
  OR { 1166}
    (( segid "    " and resid 30   and name HB3 ))
    (  segid "    " and resid 33   and name HB% )
  OR { 1166}
    (( segid "    " and resid 30   and name HB3 ))
    (  segid "    " and resid 9    and name HB% )
  ASSI { 1168}
    (( segid "    " and resid 31   and name HB3 ))
    (  segid "    " and resid 17   and name HG2%)
       3.500     1.500     1.500 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.45347E-03 ppm1      2.998 ppm2      0.589 CV     1
  OR { 1168}
    (( segid "    " and resid 15   and name HB3 ))
    (  segid "    " and resid 17   and name HG2%)
  ASSI { 1172}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 16   and name HB3 ))
       5.500     3.800     0.500 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.36872E-04 ppm1      2.963 ppm2      0.959 CV     1
  OR { 1172}
    (( segid "    " and resid 4    and name HB3 ))
    (  segid "    " and resid 5    and name HG1%)
  ASSI { 1179}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 17   and name HB  ))
       5.300     3.500     0.700 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.31817E-04 ppm1      2.875 ppm2      1.779 CV     1
  OR { 1179}
    (( segid "    " and resid 47   and name HB3 ))
    (( segid "    " and resid 17   and name HB  ))
  ASSI { 1180}
    (( segid "    " and resid 25   and name HB3 ))
    (  segid "    " and resid 23   and name HG2%)
       4.200     2.200     1.800 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.89206E-04 ppm1      2.876 ppm2      0.163 CV     1
  OR { 1180}
    (( segid "    " and resid 38   and name HB2 ))
    (  segid "    " and resid 23   and name HG2%)
  ASSI { 1185}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 42   and name HG13))
       4.500     2.500     1.500 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.13121E-03 ppm1      2.802 ppm2      1.642 CV     1
  OR { 1185}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1186}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 42   and name HG12))
       3.700     1.700     1.700 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.26799E-03 ppm1      2.801 ppm2      1.317 CV     1
  OR { 1186}
    (( segid "    " and resid 10   and name HB2 ))
    (  segid "    " and resid 33   and name HB% )
  OR { 1186}
    (( segid "    " and resid 30   and name HB2 ))
    (  segid "    " and resid 33   and name HB% )
  ASSI { 1187}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 34   and name HG2 ))
       2.400     2.400     3.600 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.35125E-02 ppm1      2.778 ppm2      2.050 CV     1
  OR { 1187}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 34   and name HG2 ))
  OR { 1187}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 34   and name HG2 ))
  ASSI { 1188}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 35   and name HB3 ))
       3.200     3.200     2.800 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.73967E-03 ppm1      2.777 ppm2      1.842 CV     1
  OR { 1188}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 12   and name HB3 ))
  ASSI { 1202}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 35   and name HB2 ))
       2.800     2.800     3.200 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.15016E-02 ppm1      2.386 ppm2      1.090 CV     1
  OR { 1202}
    (( segid "    " and resid 18   and name HB3 ))
    (  segid "    " and resid 24   and name HG2%)
  ASSI { 1208}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 35   and name HB2 ))
       2.800     1.000     1.000 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.11449E-02 ppm1      1.991 ppm2      1.087 CV     1
  OR { 1208}
    (( segid "    " and resid 49   and name HB2 ))
    (  segid "    " and resid 24   and name HG2%)
  ASSI { 1213}
    (  segid "    " and resid 47   and name HE% )
    (  segid "    " and resid 17   and name HG1%)
       3.200     1.300     1.300 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.75454E-03 ppm1      1.842 ppm2      0.625 CV     1
  OR { 1213}
    (( segid "    " and resid 35   and name HB3 ))
    (  segid "    " and resid 42   and name HD1%)
  ASSI { 1214}
    (  segid "    " and resid 47   and name HE% )
    (  segid "    " and resid 44   and name HG2%)
       3.700     1.800     1.800 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.20331E-03 ppm1      1.841 ppm2      0.348 CV     1
  OR { 1214}
    (( segid "    " and resid 35   and name HB3 ))
    (  segid "    " and resid 44   and name HD1%)
  ASSI { 1220}
    (( segid "    " and resid 18   and name HB2 ))
    (  segid "    " and resid 17   and name HG2%)
       3.000     3.000     3.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.14161E-02 ppm1      1.427 ppm2      0.586 CV     1
  OR { 1220}
    (( segid "    " and resid 44   and name HB  ))
    (  segid "    " and resid 17   and name HG2%)
  ASSI { 1225}
    (( segid "    " and resid 42   and name HG12))
    (( segid "    " and resid 35   and name HB2 ))
       2.800     2.800     3.200 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.12117E-02 ppm1      1.325 ppm2      1.091 CV     1
  OR { 1225}
    (  segid "    " and resid 33   and name HB% )
    (( segid "    " and resid 35   and name HB2 ))
  ASSI { 1230}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 34   and name HB2 ))
       2.100     2.100     3.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.74711E-02 ppm1      2.219 ppm2      1.667 CV     1
  OR { 1230}
    (( segid "    " and resid 23   and name HB  ))
    (( segid "    " and resid 34   and name HB2 ))
  OR { 1230}
    (( segid "    " and resid 23   and name HB  ))
    (( segid "    " and resid 42   and name HG13))
  ASSI { 1232}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 8    and name HD3 ))
       2.000     2.000     4.000 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.75082E-02 ppm1      2.166 ppm2      1.740 CV     1
  OR { 1232}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 7    and name HB2 ))
  ASSI { 1243}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 25   and name HB2 ))
       1.900     1.900     4.100 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.17210E-01 ppm1      3.211 ppm2      2.820 CV     1
  OR { 1243}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 30   and name HB2 ))
  ASSI { 1244}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 25   and name HB3 ))
       3.100     1.200     1.200 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.86972E-03 ppm1      3.201 ppm2      2.842 CV     1
  OR { 1244}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 25   and name HB2 ))
  OR { 1244}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 30   and name HB2 ))
  ASSI { 1245}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 38   and name HB3 ))
       3.700     1.700     1.700 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.37170E-03 ppm1      3.583 ppm2      3.049 CV     1
  OR { 1245}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 30   and name HB3 ))
  OR { 1245}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 29   and name HB2 ))
  ASSI { 1249}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 36   and name HG2 ))
       2.800     1.000     1.000 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.13901E-02 ppm1      3.889 ppm2      2.226 CV     1
  OR { 1249}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 23   and name HB  ))
  ASSI { 1250}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 36   and name HG3 ))
       3.300     1.400     1.400 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.84747E-03 ppm1      3.887 ppm2      2.461 CV     1
  OR { 1250}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 36   and name HG3 ))
  ASSI { 1253}
    (( segid "    " and resid 40   and name HD3 ))
    (  segid "    " and resid 1    and name HB% )
       2.900     2.900     3.100 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.10185E-02 ppm1      3.877 ppm2      1.580 CV     1
  OR { 1253}
    (( segid "    " and resid 36   and name HA  ))
    (  segid "    " and resid 1    and name HB% )
  OR { 1253}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 8    and name HB3 ))
  ASSI { 1265}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 49   and name HB3 ))
       3.200     3.200     2.800 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.10630E-02 ppm1      2.384 ppm2      2.182 CV     1
  OR { 1265}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 35   and name HG3 ))
  ASSI { 1267}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 34   and name HB2 ))
       3.100     1.200     1.200 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.87717E-03 ppm1      2.017 ppm2      1.647 CV     1
  OR { 1267}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 42   and name HG13))
  ASSI { 1270}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 42   and name HN  ))
       5.100     3.200     0.900 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.57241E-04 ppm1      7.727 ppm2      7.265 CV     1
  OR { 1270}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 30   and name HD22))
  OR { 1270}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 42   and name HN  ))
  OR { 1270}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 42   and name HN  ))
  ASSI { 1278}
    (( segid "    " and resid 20   and name HN  ))
    (  segid "    " and resid 31   and name HD% )
       4.900     3.000     1.100 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.70250E-04 ppm1      9.792 ppm2      6.743 CV     1
  OR { 1278}
    (( segid "    " and resid 20   and name HN  ))
    (  segid "    " and resid 25   and name HE% )
  ASSI { 1280}
    (( segid "    " and resid 20   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
       4.900     3.000     1.100 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.76197E-04 ppm1      9.782 ppm2      7.048 CV     1
  OR { 1280}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
  ASSI { 1298}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 42   and name HN  ))
       3.900     1.900     1.900 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.33341E-03 ppm1      8.840 ppm2      7.249 CV     1
  OR { 1298}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 14   and name HD1 ))
  ASSI { 1299}
    (( segid "    " and resid 14   and name HN  ))
    (  segid "    " and resid 15   and name HD% )
       3.900     1.900     1.900 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.19254E-03 ppm1      8.836 ppm2      7.071 CV     1
  OR { 1299}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
  ASSI { 1301}
    (( segid "    " and resid 14   and name HN  ))
    (  segid "    " and resid 15   and name HE% )
       4.300     2.300     1.700 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.11114E-03 ppm1      8.824 ppm2      6.765 CV     1
  OR { 1301}
    (( segid "    " and resid 43   and name HN  ))
    (  segid "    " and resid 31   and name HD% )
  OR { 1301}
    (( segid "    " and resid 21   and name HN  ))
    (  segid "    " and resid 31   and name HD% )
  ASSI { 1303}
    (( segid "    " and resid 46   and name HE1 ))
    (( segid "    " and resid 46   and name HD2 ))
       4.300     2.300     1.700 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.15276E-03 ppm1      8.729 ppm2      7.218 CV     1
  OR { 1303}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 7    and name HE  ))
  ASSI { 1305}
    (( segid "    " and resid 30   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
       4.600     2.700     1.400 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.78427E-04 ppm1      8.664 ppm2      7.047 CV     1
  OR { 1305}
    (( segid "    " and resid 32   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
  OR { 1305}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
  ASSI { 1308}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 12   and name HE  ))
       3.900     1.900     1.900 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.34233E-03 ppm1      8.661 ppm2      7.245 CV     1
  OR { 1308}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 30   and name HD22))
  ASSI { 1311}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 34   and name HE22))
       3.800     1.800     1.800 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.26874E-03 ppm1      8.507 ppm2      6.907 CV     1
  OR { 1311}
    (( segid "    " and resid 44   and name HN  ))
    (  segid "    " and resid 31   and name HE% )
  OR { 1311}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 34   and name HE22))
  ASSI { 1315}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 34   and name HE22))
       4.900     3.000     1.100 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.60958E-04 ppm1      8.359 ppm2      6.882 CV     1
  OR { 1315}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 34   and name HE22))
  OR { 1315}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 37   and name HE22))
  ASSI { 1316}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 7    and name HE  ))
       4.100     2.100     1.900 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.15797E-03 ppm1      8.305 ppm2      7.178 CV     1
  OR { 1316}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 34   and name HN  ))
  OR { 1316}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI { 1319}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 46   and name HN  ))
       2.200     0.600     0.600 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.69507E-02 ppm1      8.243 ppm2      7.243 CV     1
  OR { 1319}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 12   and name HE  ))
  ASSI { 1321}
    (( segid "    " and resid 24   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
       4.300     2.300     1.700 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.10854E-03 ppm1      8.189 ppm2      7.022 CV     1
  OR { 1321}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
  OR { 1321}
    (( segid "    " and resid 48   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
  OR { 1321}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
  ASSI { 1322}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 12   and name HE  ))
       4.000     2.000     2.000 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.18213E-03 ppm1      8.119 ppm2      7.244 CV     1
  OR { 1322}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 30   and name HD22))
  ASSI { 1333}
    (( segid "    " and resid 31   and name HN  ))
    (  segid "    " and resid 31   and name HE% )
       4.300     2.300     1.700 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.13715E-03 ppm1      7.827 ppm2      6.885 CV     1
  OR { 1333}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 34   and name HE22))
  OR { 1333}
    (( segid "    " and resid 39   and name HN  ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {   56}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 27   and name HD21))
       4.000     2.000     2.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.33988E-03 ppm1      8.933 ppm2      8.129 CV     1
  OR {   56}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 13   and name HN  ))
  ASSI {   86}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 13   and name HN  ))
       4.200     2.300     1.800 peak    86 spectrum    1 weight  0.10000E+01 volume  0.19027E-03 ppm1      8.843 ppm2      8.106 CV     1
  OR {   86}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 27   and name HD21))
  ASSI {  125}
    (( segid "    " and resid 23   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
       5.800     4.100     0.200 peak   125 spectrum    1 weight  0.10000E+01 volume  0.27763E-04 ppm1      7.747 ppm2      7.022 CV     1
  OR {  125}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
  ASSI {  175}
    (( segid "    " and resid 24   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
       6.000     5.000     0.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.15311E-04 ppm1      8.197 ppm2      7.029 CV     1
  OR {  175}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
  ASSI {  226}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 34   and name HE21))
       4.000     2.000     2.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.27286E-03 ppm1      8.350 ppm2      8.000 CV     1
  OR {  226}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 37   and name HE21))
  ASSI {  346}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 30   and name HN  ))
       2.500     0.800     0.800 peak   346 spectrum    1 weight  0.10000E+01 volume  0.40024E-02 ppm1      7.834 ppm2      8.644 CV     1
  OR {  346}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 32   and name HN  ))
  ASSI {  400}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 42   and name HN  ))
       6.000     6.000     0.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.74331E-06 ppm1      8.811 ppm2      7.225 CV     1
  OR {  400}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 46   and name HN  ))
  ASSI {  421}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 13   and name HN  ))
       2.900     1.000     1.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.14453E-02 ppm1      8.578 ppm2      8.123 CV     1
  OR {  421}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 27   and name HD21))
  ASSI {  453}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 17   and name HN  ))
       6.000     6.000     0.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.42883E-05 ppm1      9.306 ppm2      8.322 CV     1
  OR {  453}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
  ASSI {  470}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 34   and name HE22))
       4.400     2.500     1.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.99746E-04 ppm1      7.809 ppm2      6.896 CV     1
  OR {  470}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 37   and name HE22))
  OR {  470}
    (( segid "    " and resid 39   and name HN  ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  471}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 39   and name HA  ))
       2.600     0.800     0.800 peak   471 spectrum    1 weight  0.10000E+01 volume  0.35259E-02 ppm1      7.801 ppm2      5.022 CV     1
  OR {  471}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 38   and name HA  ))
  ASSI {  494}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 41   and name HA  ))
       3.000     1.100     1.100 peak   494 spectrum    1 weight  0.10000E+01 volume  0.13564E-02 ppm1      7.246 ppm2      4.705 CV     1
  OR {  494}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 40   and name HA  ))
  ASSI {  506}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 43   and name HN  ))
       2.700     0.900     0.900 peak   506 spectrum    1 weight  0.10000E+01 volume  0.22490E-02 ppm1      9.767 ppm2      8.825 CV     1
  OR {  506}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 21   and name HN  ))
  ASSI {  768}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 12   and name HE  ))
       6.000     5.000     0.000 peak   768 spectrum    1 weight  0.10000E+01 volume  0.16836E-04 ppm1      8.235 ppm2      7.256 CV     1
  OR {  768}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 14   and name HD1 ))
  ASSI {  837}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 21   and name HN  ))
       5.800     4.100     0.200 peak   837 spectrum    1 weight  0.10000E+01 volume  0.33036E-04 ppm1      7.711 ppm2      8.828 CV     1
  OR {  837}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 43   and name HN  ))
  ASSI {  839}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 44   and name HN  ))
       4.900     3.000     1.100 peak   839 spectrum    1 weight  0.10000E+01 volume  0.68613E-04 ppm1      7.709 ppm2      8.480 CV     1
  OR {  839}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 22   and name HN  ))
  ASSI {  849}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 42   and name HA  ))
       5.800     4.300     0.200 peak   849 spectrum    1 weight  0.10000E+01 volume  0.31542E-04 ppm1      7.710 ppm2      4.204 CV     1
  OR {  849}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 43   and name HB  ))
  ASSI {  899}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 33   and name HN  ))
       3.400     3.400     2.600 peak   899 spectrum    1 weight  0.10000E+01 volume  0.48283E-03 ppm1      7.606 ppm2      7.938 CV     1
  OR {  899}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 34   and name HE21))
  ASSI {  905}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 36   and name HA  ))
       3.200     1.300     1.300 peak   905 spectrum    1 weight  0.10000E+01 volume  0.96567E-03 ppm1      7.606 ppm2      3.898 CV     1
  OR {  905}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 33   and name HA  ))
  ASSI {  925}
    (( segid "    " and resid 37   and name HE21))
    (( segid "    " and resid 38   and name HA  ))
       6.000     5.700     0.000 peak   925 spectrum    1 weight  0.10000E+01 volume  0.11499E-04 ppm1      7.984 ppm2      5.015 CV     1
  OR {  925}
    (( segid "    " and resid 34   and name HE21))
    (( segid "    " and resid 38   and name HA  ))
  ASSI {  942}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 4    and name HN  ))
       4.700     2.800     1.300 peak   942 spectrum    1 weight  0.10000E+01 volume  0.82907E-04 ppm1      6.901 ppm2      8.332 CV     1
  OR {  942}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 9    and name HN  ))
  ASSI {  948}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 30   and name HD22))
       3.600     3.600     2.400 peak   948 spectrum    1 weight  0.10000E+01 volume  0.29129E-03 ppm1      6.886 ppm2      7.232 CV     1
  OR {  948}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 7    and name HE  ))
  ASSI {  958}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 38   and name HA  ))
       6.000     5.900     0.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.93071E-05 ppm1      6.896 ppm2      5.045 CV     1
  OR {  958}
    (( segid "    " and resid 37   and name HE22))
    (( segid "    " and resid 38   and name HA  ))
  ASSI {  964}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 6    and name HA2 ))
       2.700     2.700     3.300 peak   964 spectrum    1 weight  0.10000E+01 volume  0.23729E-02 ppm1      6.901 ppm2      3.052 CV     1
  OR {  964}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 38   and name HB3 ))
  ASSI { 1076}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 24   and name HB  ))
       3.400     1.500     1.500 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.91163E-03 ppm1      9.512 ppm2      4.086 CV     1
  OR { 1076}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 16   and name HA  ))
  ASSI { 1092}
    (( segid "    " and resid 14   and name HE1 ))
    (( segid "    " and resid 15   and name HA  ))
       5.200     3.300     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.79096E-04 ppm1     10.310 ppm2      4.504 CV     1
  OR { 1092}
    (( segid "    " and resid 14   and name HE1 ))
    (( segid "    " and resid 48   and name HA1 ))
  ASSI { 1129}
    (( segid "    " and resid 5    and name HN  ))
    (  segid "    " and resid 1    and name HB% )
       6.000     6.000     0.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.34942E-05 ppm1      8.532 ppm2      1.618 CV     1
  OR { 1129}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 8    and name HB3 ))
  OR { 1129}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1145}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 7    and name HG3 ))
       2.500     2.500     3.500 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.37483E-02 ppm1      8.447 ppm2      1.677 CV     1
  OR { 1145}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1161}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 7    and name HG3 ))
       3.200     1.300     1.300 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.70519E-03 ppm1      8.350 ppm2      1.664 CV     1
  OR { 1161}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1180}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 8    and name HG3 ))
       5.500     3.800     0.500 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.43201E-04 ppm1      8.751 ppm2      1.339 CV     1
  OR { 1180}
    (( segid "    " and resid 7    and name HN  ))
    (  segid "    " and resid 9    and name HB% )
  ASSI { 1198}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 16   and name HB2 ))
       6.000     6.000     0.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.56225E-05 ppm1      8.371 ppm2      0.739 CV     1
  OR { 1198}
    (( segid "    " and resid 50   and name HN  ))
    (  segid "    " and resid 23   and name HG1%)
  ASSI { 1214}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 7    and name HD3 ))
       6.000     6.000     0.000 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.51777E-05 ppm1      8.215 ppm2      3.224 CV     1
  OR { 1214}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 31   and name HA  ))
  ASSI { 1237}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 46   and name HB2 ))
       6.000     5.400     0.000 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.16645E-04 ppm1      8.238 ppm2      3.166 CV     1
  OR { 1237}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 50   and name HB3 ))
  ASSI { 1283}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 37   and name HB3 ))
       5.200     3.300     0.800 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.61624E-04 ppm1      8.343 ppm2      2.033 CV     1
  OR { 1283}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 34   and name HG2 ))
  ASSI { 1316}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 10   and name HB2 ))
       2.500     0.800     0.800 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.36213E-02 ppm1      8.108 ppm2      2.797 CV     1
  OR { 1316}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 30   and name HB2 ))
  ASSI { 1322}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 7    and name HG3 ))
       3.800     3.800     2.200 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.33353E-03 ppm1      8.109 ppm2      1.666 CV     1
  OR { 1322}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 12   and name HG3 ))
  OR { 1322}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1357}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 12   and name HG3 ))
       5.200     3.400     0.800 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.51142E-04 ppm1      8.657 ppm2      1.690 CV     1
  OR { 1357}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1358}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
       5.900     4.400     0.100 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.28557E-04 ppm1      8.676 ppm2      1.634 CV     1
  OR { 1358}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 8    and name HB3 ))
  ASSI { 1360}
    (( segid "    " and resid 30   and name HN  ))
    (  segid "    " and resid 17   and name HG2%)
       5.600     4.000     0.400 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.22998E-04 ppm1      8.658 ppm2      0.604 CV     1
  OR { 1360}
    (( segid "    " and resid 30   and name HN  ))
    (  segid "    " and resid 17   and name HG1%)
  OR { 1360}
    (( segid "    " and resid 30   and name HN  ))
    (  segid "    " and resid 42   and name HD1%)
  ASSI { 1385}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 36   and name HG3 ))
       6.000     4.600     0.000 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.30082E-04 ppm1      7.676 ppm2      2.457 CV     1
  OR { 1385}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 39   and name HB2 ))
  ASSI { 1395}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 35   and name HG2 ))
       6.000     6.000     0.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.34306E-05 ppm1      7.835 ppm2      2.037 CV     1
  OR { 1395}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 34   and name HG2 ))
  ASSI { 1399}
    (( segid "    " and resid 31   and name HN  ))
    (  segid "    " and resid 17   and name HG2%)
       3.500     1.500     1.500 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.58448E-03 ppm1      7.834 ppm2      0.594 CV     1
  OR { 1399}
    (( segid "    " and resid 31   and name HN  ))
    (  segid "    " and resid 42   and name HD1%)
  ASSI { 1411}
    (( segid "    " and resid 3    and name HN  ))
    (( segid "    " and resid 37   and name HB3 ))
       3.200     3.200     2.800 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.68930E-03 ppm1      8.496 ppm2      2.056 CV     1
  OR { 1411}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 47   and name HB2 ))
  ASSI { 1437}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 20   and name HA  ))
       3.100     1.200     1.200 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.13913E-02 ppm1      8.818 ppm2      4.134 CV     1
  OR { 1437}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 22   and name HA1 ))
  ASSI { 1506}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 30   and name HB2 ))
       3.000     1.100     1.100 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.19282E-02 ppm1      9.305 ppm2      2.842 CV     1
  OR { 1506}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 25   and name HB2 ))
  OR { 1506}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 25   and name HB3 ))
  ASSI { 1511}
    (( segid "    " and resid 26   and name HN  ))
    (  segid "    " and resid 9    and name HB% )
       6.000     5.900     0.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.72425E-05 ppm1      9.302 ppm2      1.333 CV     1
  OR { 1511}
    (( segid "    " and resid 26   and name HN  ))
    (  segid "    " and resid 11   and name HG2%)
  OR { 1511}
    (( segid "    " and resid 26   and name HN  ))
    (  segid "    " and resid 33   and name HB% )
  ASSI { 1516}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 38   and name HB2 ))
       2.500     0.800     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.39389E-02 ppm1      7.803 ppm2      2.842 CV     1
  OR { 1516}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 39   and name HB3 ))
  ASSI { 1519}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 40   and name HB2 ))
       3.000     3.000     3.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.15056E-02 ppm1      7.803 ppm2      2.019 CV     1
  OR { 1519}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 34   and name HG2 ))
  OR { 1519}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 35   and name HG2 ))
  ASSI { 1520}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
       4.400     2.400     1.600 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.14390E-03 ppm1      7.800 ppm2      1.646 CV     1
  OR { 1520}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 42   and name HG13))
  ASSI { 1545}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
       6.000     6.000     0.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.32083E-05 ppm1      8.633 ppm2      1.635 CV     1
  OR { 1545}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 42   and name HG13))
  ASSI { 1552}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 22   and name HA1 ))
       5.300     3.500     0.700 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.49871E-04 ppm1      9.678 ppm2      4.148 CV     1
  OR { 1552}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 20   and name HA  ))
  OR { 1552}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 24   and name HB  ))
  ASSI { 1574}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 7    and name HG3 ))
       6.000     4.800     0.000 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.20393E-04 ppm1      8.847 ppm2      1.625 CV     1
  OR { 1574}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 8    and name HB3 ))
  OR { 1574}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1587}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 34   and name HA  ))
       3.200     1.300     1.300 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.10006E-02 ppm1      7.710 ppm2      3.590 CV     1
  OR { 1587}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 40   and name HD2 ))
  ASSI { 1591}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 36   and name HG3 ))
       4.700     2.800     1.300 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.10768E-03 ppm1      7.711 ppm2      2.453 CV     1
  OR { 1591}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 39   and name HB2 ))
  ASSI { 1593}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 40   and name HB2 ))
       2.800     2.800     3.200 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.28017E-02 ppm1      7.710 ppm2      2.012 CV     1
  OR { 1593}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 34   and name HG2 ))
  OR { 1593}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 35   and name HG2 ))
  ASSI { 1596}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
       5.300     3.500     0.700 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.33988E-04 ppm1      7.691 ppm2      1.630 CV     1
  OR { 1596}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 42   and name HG13))
  ASSI { 1597}
    (( segid "    " and resid 38   and name HN  ))
    (  segid "    " and resid 33   and name HB% )
       6.000     5.800     0.000 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.81001E-05 ppm1      7.711 ppm2      1.301 CV     1
  OR { 1597}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 42   and name HG12))
  ASSI { 1609}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 10   and name HB2 ))
       4.600     2.700     1.400 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.15597E-03 ppm1      8.114 ppm2      2.808 CV     1
  OR { 1609}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 30   and name HB2 ))
  OR { 1609}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 15   and name HB2 ))
  ASSI { 1615}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 16   and name HG3 ))
       3.700     1.800     1.800 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.56860E-03 ppm1      8.158 ppm2      1.420 CV     1
  OR { 1615}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 18   and name HB2 ))
  ASSI { 1688}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 16   and name HG3 ))
       4.600     2.600     1.400 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.15756E-03 ppm1      8.358 ppm2      1.402 CV     1
  OR { 1688}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 18   and name HB2 ))
  ASSI { 1763}
    (( segid "    " and resid 11   and name HN  ))
    (  segid "    " and resid 11   and name HG2%)
       2.800     1.000     1.000 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.25412E-02 ppm1      8.237 ppm2      1.327 CV     1
  OR { 1763}
    (( segid "    " and resid 36   and name HN  ))
    (  segid "    " and resid 33   and name HB% )
  ASSI { 1785}
    (( segid "    " and resid 30   and name HD21))
    (  segid "    " and resid 33   and name HB% )
       6.000     6.000     0.000 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.52095E-05 ppm1      7.438 ppm2      1.322 CV     1
  OR { 1785}
    (( segid "    " and resid 30   and name HD21))
    (( segid "    " and resid 8    and name HG3 ))
  ASSI { 1793}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 8    and name HG3 ))
       5.800     4.200     0.200 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.25412E-04 ppm1      7.215 ppm2      1.331 CV     1
  OR { 1793}
    (( segid "    " and resid 30   and name HD22))
    (  segid "    " and resid 33   and name HB% )
  ASSI { 1802}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 39   and name HB3 ))
       6.000     5.900     0.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.80683E-05 ppm1      7.705 ppm2      2.820 CV     1
  OR { 1802}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 25   and name HB2 ))
  ASSI { 1865}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 40   and name HB2 ))
       2.400     2.400     3.600 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.79096E-02 ppm1      7.605 ppm2      2.004 CV     1
  OR { 1865}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 34   and name HG2 ))
  OR { 1865}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 35   and name HG2 ))
  ASSI { 1879}
    (( segid "    " and resid 34   and name HE21))
    (  segid "    " and resid 42   and name HD1%)
       4.100     2.100     1.900 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.20679E-03 ppm1      7.985 ppm2      0.633 CV     1
  OR { 1879}
    (( segid "    " and resid 37   and name HE21))
    (  segid "    " and resid 42   and name HD1%)
  ASSI { 1898}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 34   and name HG2 ))
       3.600     1.600     1.600 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.74966E-03 ppm1      6.901 ppm2      2.047 CV     1
  OR { 1898}
    (( segid "    " and resid 37   and name HE22))
    (( segid "    " and resid 37   and name HB3 ))
  ASSI { 1900}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 34   and name HB2 ))
       4.100     2.100     1.900 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.20044E-03 ppm1      6.900 ppm2      1.625 CV     1
  OR { 1900}
    (( segid "    " and resid 37   and name HE22))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1926}
    (( segid "    " and resid 34   and name HE21))
    (( segid "    " and resid 8    and name HG3 ))
       3.100     3.100     2.900 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.80366E-03 ppm1      7.939 ppm2      1.328 CV     1
  OR { 1926}
    (( segid "    " and resid 34   and name HE21))
    (  segid "    " and resid 33   and name HB% )
  ASSI { 1993}
    (( segid "    " and resid 44   and name HN  ))
    (  segid "    " and resid 17   and name HG2%)
       2.400     2.400     3.600 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.52095E-02 ppm1      8.476 ppm2      0.597 CV     1
  OR { 1993}
    (( segid "    " and resid 44   and name HN  ))
    (  segid "    " and resid 42   and name HD1%)

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           1H       ALA   1 -10.756  -9.594  -0.125
    2    H2   ALA   1           2H       ALA   1 -12.080 -10.537  -0.598
    3    H3   ALA   1           3H       ALA   1 -12.046  -8.886  -0.961
    4    HA   ALA   1           HA       ALA   1 -11.567 -10.238  -2.901
    5    HB1  ALA   1           2HB      ALA   1  -9.533  -9.085  -3.600
    6    HB2  ALA   1           3HB      ALA   1 -10.630  -7.994  -2.753
    7    HB3  ALA   1           1HB      ALA   1  -9.208  -8.631  -1.926
    8    H    GLU   2           H        GLU   2  -9.339 -10.723  -0.216
    9    HA   GLU   2           HA       GLU   2  -8.053 -12.455   0.417
   10    HB2  GLU   2           2HB      GLU   2  -9.574 -13.873  -1.756
   11    HB3  GLU   2           3HB      GLU   2  -8.256 -14.665  -0.881
   12    HG2  GLU   2           2HG      GLU   2 -10.332 -15.310   0.117
   13    HG3  GLU   2           3HG      GLU   2  -9.461 -14.255   1.239
   14    HE2  GLU   2           HE       GLU   2 -12.826 -12.892  -0.360
   15    H    ASP   3           H        ASP   3  -8.091 -12.719  -3.151
   16    HA   ASP   3           HA       ASP   3  -5.156 -12.467  -3.016
   17    HB2  ASP   3           2HB      ASP   3  -5.797 -14.765  -3.603
   18    HB3  ASP   3           3HB      ASP   3  -6.761 -14.150  -4.951
   19    HD2  ASP   3           HD       ASP   3  -3.989 -13.821  -6.985
   20    H    CYS   4           H        CYS   4  -4.638 -10.592  -3.718
   21    HA   CYS   4           HA       CYS   4  -5.285  -9.831  -6.411
   22    HB2  CYS   4           2HB      CYS   4  -5.664  -7.405  -5.393
   23    HB3  CYS   4           3HB      CYS   4  -7.004  -8.542  -5.630
   24    H    VAL   5           H        VAL   5  -3.685  -8.449  -7.285
   25    HA   VAL   5           HA       VAL   5  -1.319  -8.162  -5.569
   26    HB   VAL   5           HB       VAL   5  -1.374  -9.124  -8.418
   27   HG11  VAL   5          1HG1      VAL   5   0.572  -7.776  -7.951
   28   HG12  VAL   5          2HG1      VAL   5   0.932  -8.760  -6.534
   29   HG13  VAL   5          3HG1      VAL   5   1.023  -9.469  -8.146
   30   HG21  VAL   5          3HG2      VAL   5  -2.141 -10.856  -6.901
   31   HG22  VAL   5          1HG2      VAL   5  -0.534 -11.251  -7.509
   32   HG23  VAL   5          2HG2      VAL   5  -0.727 -10.613  -5.880
   33    H    GLY   6           H        GLY   6  -0.417  -6.203  -5.622
   34    HA2  GLY   6           2HA      GLY   6   0.661  -4.641  -7.282
   35    HA3  GLY   6           3HA      GLY   6  -0.973  -4.473  -7.938
   36    H    ARG   7           H        ARG   7  -1.439  -2.402  -7.454
   37    HA   ARG   7           HA       ARG   7  -1.628  -1.871  -4.578
   38    HB2  ARG   7           2HB      ARG   7  -1.142   0.447  -4.873
   39    HB3  ARG   7           3HB      ARG   7   0.153  -0.476  -5.650
   40    HG2  ARG   7           2HG      ARG   7  -0.754  -0.033  -7.835
   41    HG3  ARG   7           3HG      ARG   7  -2.166   0.758  -7.118
   42    HD2  ARG   7           2HD      ARG   7  -0.646   2.432  -6.075
   43    HD3  ARG   7           3HD      ARG   7   0.694   1.678  -6.947
   44    HE   ARG   7           HE       ARG   7  -1.612   2.880  -8.341
   45   HH11  ARG   7          2HH1      ARG   7   1.829   2.328  -8.002
   46   HH12  ARG   7          1HH1      ARG   7   2.255   3.377  -9.330
   47   HH21  ARG   7          2HH2      ARG   7  -1.057   4.277 -10.056
   48   HH22  ARG   7          1HH2      ARG   7   0.613   4.485 -10.493
   49    H    LYS   8           H        LYS   8  -3.540  -1.142  -3.889
   50    HA   LYS   8           HA       LYS   8  -5.673  -0.856  -5.864
   51    HB2  LYS   8           2HB      LYS   8  -5.857  -2.328  -3.800
   52    HB3  LYS   8           3HB      LYS   8  -5.898  -0.831  -2.855
   53    HG2  LYS   8           2HG      LYS   8  -8.130  -1.793  -3.268
   54    HG3  LYS   8           3HG      LYS   8  -7.943  -0.152  -3.902
   55    HD2  LYS   8           2HD      LYS   8  -7.535  -1.071  -6.155
   56    HD3  LYS   8           3HD      LYS   8  -7.747  -2.706  -5.506
   57    HE2  LYS   8           2HE      LYS   8  -9.846  -0.523  -5.478
   58    HE3  LYS   8           3HE      LYS   8  -9.775  -1.871  -6.622
   59    HZ1  LYS   8           3HZ      LYS   8 -10.156  -2.094  -3.682
   60    HZ2  LYS   8           1HZ      LYS   8 -10.001  -3.410  -4.742
   61    HZ3  LYS   8           2HZ      LYS   8 -11.331  -2.365  -4.870
   62    H    ALA   9           H        ALA   9  -6.465   1.089  -6.391
   63    HA   ALA   9           HA       ALA   9  -4.788   3.266  -5.641
   64    HB1  ALA   9           1HB      ALA   9  -7.212   3.249  -7.429
   65    HB2  ALA   9           2HB      ALA   9  -6.011   4.537  -7.313
   66    HB3  ALA   9           3HB      ALA   9  -5.547   2.952  -7.936
   67    H    CYS  10           H        CYS  10  -5.024   4.477  -3.980
   68    HA   CYS  10           HA       CYS  10  -7.648   5.647  -3.417
   69    HB2  CYS  10           2HB      CYS  10  -7.157   3.942  -1.683
   70    HB3  CYS  10           3HB      CYS  10  -5.621   4.753  -1.336
   71    H    THR  11           H        THR  11  -7.434   7.906  -2.806
   72    HA   THR  11           HA       THR  11  -4.753   9.021  -3.030
   73    HB   THR  11           HB       THR  11  -6.841  10.073  -4.915
   74    HG1  THR  11           1HG      THR  11  -5.425   8.672  -6.458
   75   HG21  THR  11          3HG2      THR  11  -3.821  10.058  -4.944
   76   HG22  THR  11          1HG2      THR  11  -4.844  11.416  -4.481
   77   HG23  THR  11          2HG2      THR  11  -4.858  10.831  -6.143
   78    H    ARG  12           H        ARG  12  -5.829   9.235  -0.774
   79    HA   ARG  12           HA       ARG  12  -7.528  11.576  -0.513
   80    HB2  ARG  12           2HB      ARG  12  -7.414  11.119   1.890
   81    HB3  ARG  12           3HB      ARG  12  -7.795   9.631   1.009
   82    HG2  ARG  12           2HG      ARG  12  -5.673   8.727   1.325
   83    HG3  ARG  12           3HG      ARG  12  -4.964  10.307   1.699
   84    HD2  ARG  12           2HD      ARG  12  -6.718  10.159   3.719
   85    HD3  ARG  12           3HD      ARG  12  -6.454   8.431   3.438
   86    HE   ARG  12           HE       ARG  12  -3.963   9.720   3.503
   87   HH11  ARG  12          2HH1      ARG  12  -6.562   8.829   5.654
   88   HH12  ARG  12          1HH1      ARG  12  -5.569   8.847   7.078
   89   HH21  ARG  12          2HH2      ARG  12  -2.649   9.802   5.349
   90   HH22  ARG  12          1HH2      ARG  12  -3.316   9.362   6.901
   91    H    GLU  13           H        GLU  13  -4.261  10.890  -0.811
   92    HA   GLU  13           HA       GLU  13  -3.117  13.311  -0.000
   93    HB2  GLU  13           2HB      GLU  13  -3.959  12.719   2.205
   94    HB3  GLU  13           3HB      GLU  13  -3.256  11.102   2.067
   95    HG2  GLU  13           2HG      GLU  13  -0.999  12.124   2.093
   96    HG3  GLU  13           3HG      GLU  13  -1.771  13.691   2.383
   97    HE2  GLU  13           HE       GLU  13  -2.120  13.025   5.719
   98    H    TRP  14           H        TRP  14  -0.685  13.063   0.007
   99    HA   TRP  14           HA       TRP  14   0.091  10.439  -1.089
  100    HB2  TRP  14           2HB      TRP  14   0.144  12.298  -2.776
  101    HB3  TRP  14           3HB      TRP  14   1.370  13.091  -1.787
  102    HD1  TRP  14           1HD      TRP  14   3.853  12.057  -1.799
  103    HE1  TRP  14           1HE      TRP  14   5.027  10.395  -3.372
  104    HE3  TRP  14           3HE      TRP  14  -0.245  10.199  -4.241
  105    HZ2  TRP  14           2HZ      TRP  14   4.324   8.554  -5.368
  106    HZ3  TRP  14           3HZ      TRP  14   0.105   8.488  -5.974
  107    HH2  TRP  14           2HH      TRP  14   2.347   7.685  -6.521
  108    H    TYR  15           H        TYR  15   0.672   9.663   0.917
  109    HA   TYR  15           HA       TYR  15   3.368  10.532   1.643
  110    HB2  TYR  15           2HB      TYR  15   1.140   9.519   3.398
  111    HB3  TYR  15           3HB      TYR  15   2.806   9.103   3.806
  112    HD1  TYR  15           1HD      TYR  15   0.610  12.039   3.160
  113    HD2  TYR  15           2HD      TYR  15   4.147  10.576   5.015
  114    HE1  TYR  15           1HE      TYR  15   0.886  14.192   4.317
  115    HE2  TYR  15           2HE      TYR  15   4.434  12.724   6.175
  116    HH   TYR  15           HH       TYR  15   3.776  15.010   6.022
  117    HA   PRO  16           HA       PRO  16   3.367   6.636  -0.459
  118    HB2  PRO  16           2HB      PRO  16   5.765   6.866  -1.681
  119    HB3  PRO  16           3HB      PRO  16   4.335   7.758  -2.196
  120    HG2  PRO  16           2HG      PRO  16   6.691   8.664  -0.621
  121    HG3  PRO  16           3HG      PRO  16   5.700   9.561  -1.832
  122    HD2  PRO  16           2HD      PRO  16   5.516   9.749   0.979
  123    HD3  PRO  16           3HD      PRO  16   4.334  10.345  -0.198
  124    H    VAL  17           H        VAL  17   3.994   4.681   0.120
  125    HA   VAL  17           HA       VAL  17   6.471   4.308   1.622
  126    HB   VAL  17           HB       VAL  17   5.398   2.780   3.222
  127   HG11  VAL  17          1HG1      VAL  17   4.223   4.461   4.599
  128   HG12  VAL  17          2HG1      VAL  17   5.752   5.048   3.941
  129   HG13  VAL  17          3HG1      VAL  17   4.227   5.554   3.215
  130   HG21  VAL  17          3HG2      VAL  17   3.483   2.089   1.913
  131   HG22  VAL  17          1HG2      VAL  17   2.952   2.746   3.462
  132   HG23  VAL  17          2HG2      VAL  17   2.808   3.718   1.997
  133    H    CYS  18           H        CYS  18   7.059   1.970   1.702
  134    HA   CYS  18           HA       CYS  18   5.980   0.582  -0.659
  135    HB2  CYS  18           2HB      CYS  18   8.324   1.346  -0.861
  136    HB3  CYS  18           3HB      CYS  18   8.744   0.342   0.537
  137    H    GLY  19           H        GLY  19   5.119  -1.375  -0.362
  138    HA2  GLY  19           2HA      GLY  19   5.025  -2.427   2.363
  139    HA3  GLY  19           3HA      GLY  19   4.123  -3.033   0.964
  140    H    SER  20           H        SER  20   5.535  -4.646   2.848
  141    HA   SER  20           HA       SER  20   8.137  -5.328   2.176
  142    HB2  SER  20           2HB      SER  20   5.969  -7.072   3.362
  143    HB3  SER  20           3HB      SER  20   7.695  -7.472   3.342
  144    HG   SER  20           HG       SER  20   8.087  -5.577   4.575
  145    H    ASP  21           H        ASP  21   5.339  -5.955   0.348
  146    HA   ASP  21           HA       ASP  21   6.357  -8.231  -1.081
  147    HB2  ASP  21           2HB      ASP  21   3.952  -7.820  -0.969
  148    HB3  ASP  21           3HB      ASP  21   4.165  -6.243  -1.744
  149    HD2  ASP  21           HD       ASP  21   4.384  -9.467  -4.051
  150    H    GLY  22           H        GLY  22   7.290  -5.086  -0.906
  151    HA2  GLY  22           2HA      GLY  22   8.855  -3.893  -2.139
  152    HA3  GLY  22           3HA      GLY  22   8.775  -5.137  -3.393
  153    H    VAL  23           H        VAL  23   5.955  -3.571  -2.020
  154    HA   VAL  23           HA       VAL  23   5.336  -2.676  -4.761
  155    HB   VAL  23           HB       VAL  23   3.804  -4.332  -4.033
  156   HG11  VAL  23          1HG1      VAL  23   2.460  -4.113  -1.994
  157   HG12  VAL  23          2HG1      VAL  23   4.185  -4.250  -1.663
  158   HG13  VAL  23          3HG1      VAL  23   3.390  -2.680  -1.557
  159   HG21  VAL  23          3HG2      VAL  23   2.808  -2.481  -5.264
  160   HG22  VAL  23          1HG2      VAL  23   1.664  -3.162  -4.105
  161   HG23  VAL  23          2HG2      VAL  23   2.481  -1.639  -3.748
  162    H    THR  24           H        THR  24   4.667  -0.645  -5.200
  163    HA   THR  24           HA       THR  24   5.294   1.409  -3.275
  164    HB   THR  24           HB       THR  24   4.210   1.626  -6.092
  165    HG1  THR  24           1HG      THR  24   6.355   1.888  -6.690
  166   HG21  THR  24          3HG2      THR  24   5.069   3.921  -6.023
  167   HG22  THR  24          1HG2      THR  24   5.530   3.697  -4.334
  168   HG23  THR  24          2HG2      THR  24   3.829   3.659  -4.797
  169    H    TYR  25           H        TYR  25   3.863   2.180  -1.879
  170    HA   TYR  25           HA       TYR  25   1.034   2.184  -2.625
  171    HB2  TYR  25           2HB      TYR  25   2.461   2.295   0.030
  172    HB3  TYR  25           3HB      TYR  25   0.740   2.576  -0.151
  173    HD1  TYR  25           2HD      TYR  25  -0.534   0.704  -1.559
  174    HD2  TYR  25           1HD      TYR  25   3.112   0.132   0.546
  175    HE1  TYR  25           2HE      TYR  25  -0.972  -1.713  -1.479
  176    HE2  TYR  25           1HE      TYR  25   2.689  -2.285   0.628
  177    HH   TYR  25           HH       TYR  25   0.341  -3.815  -1.245
  178    H    SER  26           H        SER  26   0.028   4.011  -2.993
  179    HA   SER  26           HA       SER  26   1.428   6.439  -3.295
  180    HB2  SER  26           2HB      SER  26  -1.540   5.826  -3.315
  181    HB3  SER  26           3HB      SER  26  -0.816   7.341  -3.876
  182    HG   SER  26           HG       SER  26  -0.521   6.374  -5.707
  183    H    ASN  27           H        ASN  27  -0.359   5.119  -0.643
  184    HA   ASN  27           HA       ASN  27   0.403   7.154   1.153
  185    HB2  ASN  27           2HB      ASN  27  -1.964   7.945   1.699
  186    HB3  ASN  27           3HB      ASN  27  -1.258   8.577   0.207
  187   HD21  ASN  27          1HD2      ASN  27  -2.431   8.449  -1.562
  188   HD22  ASN  27          2HD2      ASN  27  -3.778   7.388  -1.825
  189    HA   PRO  28           HA       PRO  28  -0.637   4.175   4.303
  190    HB2  PRO  28           2HB      PRO  28  -2.701   6.076   5.395
  191    HB3  PRO  28           3HB      PRO  28  -1.424   5.187   6.228
  192    HG2  PRO  28           2HG      PRO  28  -1.181   7.783   5.672
  193    HG3  PRO  28           3HG      PRO  28   0.232   6.670   5.561
  194    HD2  PRO  28           2HD      PRO  28  -1.392   7.945   3.401
  195    HD3  PRO  28           3HD      PRO  28   0.324   7.505   3.425
  196    H    CYS  29           H        CYS  29  -3.511   5.864   3.059
  197    HA   CYS  29           HA       CYS  29  -5.401   3.871   3.511
  198    HB2  CYS  29           2HB      CYS  29  -6.073   6.089   2.913
  199    HB3  CYS  29           3HB      CYS  29  -5.243   5.984   1.352
  200    H    ASN  30           H        ASN  30  -3.233   4.361   0.755
  201    HA   ASN  30           HA       ASN  30  -4.189   2.285  -0.886
  202    HB2  ASN  30           2HB      ASN  30  -2.527   4.181  -1.429
  203    HB3  ASN  30           3HB      ASN  30  -1.295   3.133  -0.714
  204   HD21  ASN  30          1HD2      ASN  30  -2.667   0.698  -1.786
  205   HD22  ASN  30          2HD2      ASN  30  -2.264   0.680  -3.466
  206    H    PHE  31           H        PHE  31  -1.656   2.357   1.591
  207    HA   PHE  31           HA       PHE  31  -0.809  -0.323   1.338
  208    HB2  PHE  31           1HB      PHE  31   0.517   1.425   2.429
  209    HB3  PHE  31           2HB      PHE  31  -0.708   1.596   3.685
  210    HD1  PHE  31           1HD      PHE  31   2.083  -0.470   2.476
  211    HD2  PHE  31           2HD      PHE  31  -0.881   0.001   5.499
  212    HE1  PHE  31           1HE      PHE  31   3.307  -2.032   3.916
  213    HE2  PHE  31           2HE      PHE  31   0.334  -1.584   6.932
  214    HZ   PHE  31           HZ       PHE  31   2.433  -2.606   6.137
  215    H    SER  32           H        SER  32  -3.115   1.248   3.533
  216    HA   SER  32           HA       SER  32  -3.790  -1.059   4.992
  217    HB2  SER  32           2HB      SER  32  -4.246   1.173   5.850
  218    HB3  SER  32           3HB      SER  32  -5.362   1.484   4.511
  219    HG   SER  32           HG       SER  32  -6.468  -0.531   5.418
  220    H    ALA  33           H        ALA  33  -5.455   0.521   2.247
  221    HA   ALA  33           HA       ALA  33  -7.670  -1.232   2.286
  222    HB1  ALA  33           1HB      ALA  33  -7.727   0.988   1.235
  223    HB2  ALA  33           2HB      ALA  33  -6.640   0.402  -0.027
  224    HB3  ALA  33           3HB      ALA  33  -8.257  -0.284   0.134
  225    H    GLN  34           H        GLN  34  -4.717  -1.192   0.338
  226    HA   GLN  34           HA       GLN  34  -5.499  -3.309  -1.349
  227    HB2  GLN  34           2HB      GLN  34  -3.695  -1.809  -1.980
  228    HB3  GLN  34           3HB      GLN  34  -2.730  -2.352  -0.601
  229    HG2  GLN  34           2HG      GLN  34  -1.907  -3.418  -2.581
  230    HG3  GLN  34           3HG      GLN  34  -2.702  -4.628  -1.563
  231   HE21  GLN  34          1HE2      GLN  34  -2.202  -4.861  -4.349
  232   HE22  GLN  34          2HE2      GLN  34  -3.727  -4.980  -5.144
  233    H    GLN  35           H        GLN  35  -3.739  -3.207   1.705
  234    HA   GLN  35           HA       GLN  35  -3.140  -5.993   1.579
  235    HB2  GLN  35           2HB      GLN  35  -2.739  -3.830   3.598
  236    HB3  GLN  35           3HB      GLN  35  -2.367  -5.517   3.965
  237    HG2  GLN  35           2HG      GLN  35  -0.762  -5.680   2.270
  238    HG3  GLN  35           3HG      GLN  35  -1.323  -4.190   1.499
  239   HE21  GLN  35          1HE2      GLN  35   0.771  -3.429   1.494
  240   HE22  GLN  35          2HE2      GLN  35   1.479  -2.814   2.944
  241    H    GLU  36           H        GLU  36  -5.598  -4.073   3.273
  242    HA   GLU  36           HA       GLU  36  -6.570  -6.244   4.789
  243    HB2  GLU  36           2HB      GLU  36  -8.626  -4.951   5.086
  244    HB3  GLU  36           3HB      GLU  36  -7.181  -3.969   5.359
  245    HG2  GLU  36           2HG      GLU  36  -7.468  -3.159   2.959
  246    HG3  GLU  36           3HG      GLU  36  -9.081  -3.879   3.048
  247    HE2  GLU  36           HE       GLU  36  -8.441  -0.829   5.533
  248    H    GLN  37           H        GLN  37  -7.021  -5.316   1.449
  249    HA   GLN  37           HA       GLN  37  -9.074  -7.334   1.027
  250    HB2  GLN  37           2HB      GLN  37  -7.433  -5.776  -0.974
  251    HB3  GLN  37           3HB      GLN  37  -8.839  -6.788  -1.347
  252    HG2  GLN  37           2HG      GLN  37 -10.338  -5.268  -0.425
  253    HG3  GLN  37           3HG      GLN  37  -9.078  -4.468   0.527
  254   HE21  GLN  37          1HE2      GLN  37  -7.186  -4.451  -1.666
  255   HE22  GLN  37          2HE2      GLN  37  -7.704  -3.215  -2.752
  256    H    CYS  38           H        CYS  38  -5.596  -7.010   0.611
  257    HA   CYS  38           HA       CYS  38  -5.586  -9.599  -0.792
  258    HB2  CYS  38           2HB      CYS  38  -3.387  -7.549  -0.902
  259    HB3  CYS  38           3HB      CYS  38  -3.660  -8.917  -1.993
  260    H    ASP  39           H        ASP  39  -3.004  -7.779   0.859
  261    HA   ASP  39           HA       ASP  39  -2.384 -10.260   2.325
  262    HB2  ASP  39           2HB      ASP  39  -0.895  -9.772   0.289
  263    HB3  ASP  39           3HB      ASP  39  -0.252  -8.422   1.247
  264    HD2  ASP  39           HD       ASP  39   1.056 -12.012   2.013
  265    HA   PRO  40           HA       PRO  40  -2.658  -6.906   5.427
  266    HB2  PRO  40           2HB      PRO  40  -3.273  -9.146   7.252
  267    HB3  PRO  40           3HB      PRO  40  -4.217  -7.707   6.870
  268    HG2  PRO  40           2HG      PRO  40  -4.886 -10.198   6.046
  269    HG3  PRO  40           3HG      PRO  40  -5.280  -8.717   5.096
  270    HD2  PRO  40           2HD      PRO  40  -3.105 -10.750   4.689
  271    HD3  PRO  40           3HD      PRO  40  -4.111  -9.917   3.493
  272    H    ASN  41           H        ASN  41  -0.634  -9.568   4.964
  273    HA   ASN  41           HA       ASN  41   0.511  -9.551   7.629
  274    HB2  ASN  41           2HB      ASN  41   1.081 -11.321   5.247
  275    HB3  ASN  41           3HB      ASN  41   1.783 -11.525   6.857
  276   HD21  ASN  41          1HD2      ASN  41  -0.728 -10.747   8.197
  277   HD22  ASN  41          2HD2      ASN  41  -1.783 -12.116   8.035
  278    H    ILE  42           H        ILE  42   1.281  -8.033   4.627
  279    HA   ILE  42           HA       ILE  42   4.120  -8.049   5.159
  280    HB   ILE  42           HB       ILE  42   4.503  -6.681   3.290
  281   HG12  ILE  42          2HG1      ILE  42   1.553  -6.046   3.230
  282   HG13  ILE  42          3HG1      ILE  42   2.850  -4.938   3.707
  283   HG21  ILE  42          1HG2      ILE  42   3.861  -8.905   2.660
  284   HG22  ILE  42          2HG2      ILE  42   2.159  -8.436   2.643
  285   HG23  ILE  42          3HG2      ILE  42   3.273  -7.741   1.468
  286   HD11  ILE  42          3HD1      ILE  42   2.472  -6.136   0.970
  287   HD12  ILE  42          1HD1      ILE  42   2.150  -4.468   1.443
  288   HD13  ILE  42          2HD1      ILE  42   3.806  -5.082   1.452
  289    H    THR  43           H        THR  43   5.338  -6.049   5.363
  290    HA   THR  43           HA       THR  43   3.976  -4.129   7.135
  291    HB   THR  43           HB       THR  43   6.226  -3.899   8.274
  292    HG1  THR  43           1HG      THR  43   6.937  -5.584   6.314
  293   HG21  THR  43          3HG2      THR  43   4.864  -6.590   8.439
  294   HG22  THR  43          1HG2      THR  43   4.416  -5.135   9.330
  295   HG23  THR  43          2HG2      THR  43   5.962  -5.923   9.647
  296    H    ILE  44           H        ILE  44   5.279  -1.988   7.237
  297    HA   ILE  44           HA       ILE  44   5.779  -1.111   4.562
  298    HB   ILE  44           HB       ILE  44   6.482   0.262   7.169
  299   HG12  ILE  44          2HG1      ILE  44   4.079   0.594   5.355
  300   HG13  ILE  44          3HG1      ILE  44   4.073  -0.211   6.933
  301   HG21  ILE  44          1HG2      ILE  44   6.258   1.382   4.377
  302   HG22  ILE  44          2HG2      ILE  44   6.568   2.313   5.841
  303   HG23  ILE  44          3HG2      ILE  44   7.754   1.137   5.279
  304   HD11  ILE  44          3HD1      ILE  44   4.635   2.703   6.438
  305   HD12  ILE  44          1HD1      ILE  44   3.168   2.014   7.134
  306   HD13  ILE  44          2HD1      ILE  44   4.694   1.902   8.009
  307    H    ALA  45           H        ALA  45   7.528  -1.504   3.438
  308    HA   ALA  45           HA       ALA  45   9.864  -2.683   4.610
  309    HB1  ALA  45           1HB      ALA  45   9.046  -3.356   2.397
  310    HB2  ALA  45           2HB      ALA  45   9.386  -1.738   1.781
  311    HB3  ALA  45           3HB      ALA  45  10.709  -2.770   2.322
  312    H    HIS  46           H        HIS  46   9.188   0.364   2.923
  313    HA   HIS  46           HA       HIS  46  10.919   1.771   4.690
  314    HB2  HIS  46           2HB      HIS  46  12.504   2.651   3.108
  315    HB3  HIS  46           3HB      HIS  46  12.581   0.889   3.070
  316    HD1  HIS  46           1HD      HIS  46  11.433   3.816   0.982
  317    HD2  HIS  46           2HD      HIS  46  12.017  -0.287   0.642
  318    HE1  HIS  46           1HE      HIS  46  11.268   3.308  -1.473
  319    HE2  HIS  46           2HE      HIS  46  11.895   0.873  -1.665
  320    H    MET  47           H        MET  47  10.738   4.038   4.491
  321    HA   MET  47           HA       MET  47   8.186   4.898   3.515
  322    HB2  MET  47           2HB      MET  47   9.495   5.767   5.561
  323    HB3  MET  47           3HB      MET  47  10.441   6.701   4.395
  324    HG2  MET  47           2HG      MET  47   7.441   6.890   4.579
  325    HG3  MET  47           3HG      MET  47   8.532   7.897   5.535
  326    HE1  MET  47           3HE      MET  47   6.235   8.922   3.495
  327    HE2  MET  47           1HE      MET  47   7.208  10.004   4.494
  328    HE3  MET  47           2HE      MET  47   7.065  10.297   2.760
  329    H    GLY  48           H        GLY  48   7.763   6.154   1.720
  330    HA2  GLY  48           2HA      GLY  48   8.465   7.436  -0.187
  331    HA3  GLY  48           3HA      GLY  48  10.016   6.586  -0.123
  332    H    GLU  49           H        GLU  49   7.819   6.916  -2.184
  333    HA   GLU  49           HA       GLU  49   6.589   4.490  -2.749
  334    HB2  GLU  49           2HB      GLU  49   6.705   5.354  -5.159
  335    HB3  GLU  49           3HB      GLU  49   5.893   6.376  -3.964
  336    HG2  GLU  49           2HG      GLU  49   8.277   7.466  -3.733
  337    HG3  GLU  49           3HG      GLU  49   8.495   6.783  -5.350
  338    HE2  GLU  49           HE       GLU  49   6.316   9.082  -6.771
  339    H    CYS  50           H        CYS  50   7.153   2.705  -4.005
  340    HA   CYS  50           HA       CYS  50  10.000   2.131  -3.995
  341    HB2  CYS  50           1HB      CYS  50   7.586   0.634  -3.620
  342    HB3  CYS  50           2HB      CYS  50   8.545  -0.106  -4.913
  Start of MODEL    2
    1    H1   ALA   1           1H       ALA   1 -12.296  -6.988  -1.901
    2    H2   ALA   1           2H       ALA   1 -11.436  -8.196  -1.078
    3    H3   ALA   1           3H       ALA   1 -12.715  -8.617  -2.103
    4    HA   ALA   1           HA       ALA   1 -11.534  -7.897  -4.026
    5    HB1  ALA   1           2HB      ALA   1 -10.373  -6.009  -3.011
    6    HB2  ALA   1           3HB      ALA   1  -9.333  -7.121  -2.121
    7    HB3  ALA   1           1HB      ALA   1  -9.247  -7.054  -3.881
    8    H    GLU   2           H        GLU   2 -10.433  -9.613  -1.186
    9    HA   GLU   2           HA       GLU   2  -9.519 -11.647  -0.848
   10    HB2  GLU   2           2HB      GLU   2 -10.397 -12.026  -3.709
   11    HB3  GLU   2           3HB      GLU   2  -9.536 -13.293  -2.821
   12    HG2  GLU   2           2HG      GLU   2 -11.879 -13.756  -2.720
   13    HG3  GLU   2           3HG      GLU   2 -11.330 -13.256  -1.114
   14    HE2  GLU   2           HE       GLU   2 -13.452 -10.552  -1.081
   15    H    ASP   3           H        ASP   3  -8.520 -11.046  -4.208
   16    HA   ASP   3           HA       ASP   3  -5.724 -11.075  -3.289
   17    HB2  ASP   3           2HB      ASP   3  -6.065 -13.217  -4.305
   18    HB3  ASP   3           3HB      ASP   3  -6.909 -12.495  -5.680
   19    HD2  ASP   3           HD       ASP   3  -2.945 -12.356  -5.650
   20    H    CYS   4           H        CYS   4  -4.812  -9.187  -3.711
   21    HA   CYS   4           HA       CYS   4  -4.973  -8.154  -6.401
   22    HB2  CYS   4           2HB      CYS   4  -5.488  -5.874  -5.779
   23    HB3  CYS   4           3HB      CYS   4  -6.805  -6.945  -5.277
   24    H    VAL   5           H        VAL   5  -2.949  -7.985  -6.972
   25    HA   VAL   5           HA       VAL   5  -1.006  -7.068  -4.960
   26    HB   VAL   5           HB       VAL   5  -0.568  -9.351  -5.819
   27   HG11  VAL   5          1HG1      VAL   5  -0.120  -7.989  -8.468
   28   HG12  VAL   5          2HG1      VAL   5   0.217  -9.681  -8.100
   29   HG13  VAL   5          3HG1      VAL   5  -1.444  -9.085  -8.075
   30   HG21  VAL   5          3HG2      VAL   5   1.811  -8.998  -6.372
   31   HG22  VAL   5          1HG2      VAL   5   1.487  -7.274  -6.561
   32   HG23  VAL   5          2HG2      VAL   5   1.282  -8.042  -4.988
   33    H    GLY   6           H        GLY   6   0.102  -5.244  -5.321
   34    HA2  GLY   6           2HA      GLY   6   1.201  -3.810  -7.044
   35    HA3  GLY   6           3HA      GLY   6  -0.329  -3.930  -7.927
   36    H    ARG   7           H        ARG   7  -1.468  -2.119  -7.790
   37    HA   ARG   7           HA       ARG   7  -1.602  -0.816  -5.162
   38    HB2  ARG   7           2HB      ARG   7  -1.548   1.382  -6.206
   39    HB3  ARG   7           3HB      ARG   7  -0.081   0.469  -6.593
   40    HG2  ARG   7           2HG      ARG   7  -1.200  -0.159  -8.781
   41    HG3  ARG   7           3HG      ARG   7  -2.415   1.072  -8.384
   42    HD2  ARG   7           2HD      ARG   7   0.566   1.567  -8.588
   43    HD3  ARG   7           3HD      ARG   7  -0.620   1.922  -9.855
   44    HE   ARG   7           HE       ARG   7  -1.660   3.461  -8.136
   45   HH11  ARG   7          2HH1      ARG   7   1.748   2.675  -8.086
   46   HH12  ARG   7          1HH1      ARG   7   2.232   4.204  -7.412
   47   HH21  ARG   7          2HH2      ARG   7  -1.048   5.456  -7.232
   48   HH22  ARG   7          1HH2      ARG   7   0.627   5.783  -6.915
   49    H    LYS   8           H        LYS   8  -3.580  -0.545  -4.446
   50    HA   LYS   8           HA       LYS   8  -5.813  -0.416  -6.339
   51    HB2  LYS   8           2HB      LYS   8  -5.878  -0.476  -3.305
   52    HB3  LYS   8           3HB      LYS   8  -7.264  -0.647  -4.391
   53    HG2  LYS   8           2HG      LYS   8  -4.986  -2.599  -4.082
   54    HG3  LYS   8           3HG      LYS   8  -6.636  -2.786  -3.464
   55    HD2  LYS   8           2HD      LYS   8  -5.990  -2.478  -6.401
   56    HD3  LYS   8           3HD      LYS   8  -6.106  -4.045  -5.585
   57    HE2  LYS   8           2HE      LYS   8  -8.226  -3.791  -6.500
   58    HE3  LYS   8           3HE      LYS   8  -8.439  -3.233  -4.835
   59    HZ1  LYS   8           3HZ      LYS   8  -9.490  -1.775  -6.486
   60    HZ2  LYS   8           1HZ      LYS   8  -7.970  -1.445  -7.160
   61    HZ3  LYS   8           2HZ      LYS   8  -8.321  -0.963  -5.571
   62    H    ALA   9           H        ALA   9  -6.699   1.562  -6.808
   63    HA   ALA   9           HA       ALA   9  -5.008   3.735  -6.057
   64    HB1  ALA   9           1HB      ALA   9  -6.235   5.036  -7.664
   65    HB2  ALA   9           2HB      ALA   9  -5.877   3.444  -8.336
   66    HB3  ALA   9           3HB      ALA   9  -7.498   3.808  -7.740
   67    H    CYS  10           H        CYS  10  -5.179   4.802  -4.298
   68    HA   CYS  10           HA       CYS  10  -7.720   6.124  -3.702
   69    HB2  CYS  10           2HB      CYS  10  -7.500   4.386  -2.017
   70    HB3  CYS  10           3HB      CYS  10  -5.824   4.854  -1.695
   71    H    THR  11           H        THR  11  -7.372   8.342  -3.060
   72    HA   THR  11           HA       THR  11  -4.673   9.283  -2.719
   73    HB   THR  11           HB       THR  11  -6.164  10.299  -5.147
   74    HG1  THR  11           1HG      THR  11  -4.473   8.112  -4.824
   75   HG21  THR  11          3HG2      THR  11  -3.304  10.634  -4.242
   76   HG22  THR  11          1HG2      THR  11  -4.575  11.848  -4.088
   77   HG23  THR  11          2HG2      THR  11  -4.028  11.339  -5.686
   78    H    ARG  12           H        ARG  12  -6.221   9.594  -0.808
   79    HA   ARG  12           HA       ARG  12  -7.494  12.231  -0.974
   80    HB2  ARG  12           2HB      ARG  12  -8.465  11.729   1.176
   81    HB3  ARG  12           3HB      ARG  12  -8.708  10.328   0.119
   82    HG2  ARG  12           2HG      ARG  12  -6.641   9.319   1.181
   83    HG3  ARG  12           3HG      ARG  12  -6.755  10.621   2.380
   84    HD2  ARG  12           2HD      ARG  12  -7.885   8.816   3.365
   85    HD3  ARG  12           3HD      ARG  12  -9.160   9.866   2.737
   86    HE   ARG  12           HE       ARG  12  -8.258   7.365   1.460
   87   HH11  ARG  12          2HH1      ARG  12 -10.712   9.816   1.972
   88   HH12  ARG  12          1HH1      ARG  12 -11.975   8.881   1.219
   89   HH21  ARG  12          2HH2      ARG  12  -9.910   6.143   0.480
   90   HH22  ARG  12          1HH2      ARG  12 -11.521   6.789   0.378
   91    H    GLU  13           H        GLU  13  -4.582  11.247  -0.884
   92    HA   GLU  13           HA       GLU  13  -3.267  13.237   0.545
   93    HB2  GLU  13           2HB      GLU  13  -4.197  12.160   2.541
   94    HB3  GLU  13           3HB      GLU  13  -3.573  10.597   1.992
   95    HG2  GLU  13           2HG      GLU  13  -1.270  11.474   2.218
   96    HG3  GLU  13           3HG      GLU  13  -1.952  12.957   2.897
   97    HE2  GLU  13           HE       GLU  13  -2.148   9.674   5.129
   98    H    TRP  14           H        TRP  14  -0.945  12.928   0.313
   99    HA   TRP  14           HA       TRP  14  -0.211  10.421  -1.039
  100    HB2  TRP  14           2HB      TRP  14  -0.285  12.281  -2.684
  101    HB3  TRP  14           3HB      TRP  14   0.898  13.157  -1.716
  102    HD1  TRP  14           1HD      TRP  14   3.444  12.351  -1.810
  103    HE1  TRP  14           1HE      TRP  14   4.722  10.792  -3.418
  104    HE3  TRP  14           3HE      TRP  14  -0.542  10.162  -4.135
  105    HZ2  TRP  14           2HZ      TRP  14   4.108   8.898  -5.417
  106    HZ3  TRP  14           3HZ      TRP  14  -0.110   8.487  -5.887
  107    HH2  TRP  14           2HH      TRP  14   2.166   7.872  -6.512
  108    H    TYR  15           H        TYR  15   0.531   9.571   0.883
  109    HA   TYR  15           HA       TYR  15   3.242  10.481   1.474
  110    HB2  TYR  15           2HB      TYR  15   1.176   9.316   3.342
  111    HB3  TYR  15           3HB      TYR  15   2.894   9.036   3.636
  112    HD1  TYR  15           2HD      TYR  15   4.404  10.910   4.158
  113    HD2  TYR  15           1HD      TYR  15   0.210  11.484   3.758
  114    HE1  TYR  15           2HE      TYR  15   4.600  13.080   5.294
  115    HE2  TYR  15           1HE      TYR  15   0.393  13.656   4.894
  116    HH   TYR  15           HH       TYR  15   3.361  15.205   5.428
  117    HA   PRO  16           HA       PRO  16   3.232   6.629  -0.720
  118    HB2  PRO  16           2HB      PRO  16   5.603   6.879  -1.964
  119    HB3  PRO  16           3HB      PRO  16   4.203   7.849  -2.416
  120    HG2  PRO  16           2HG      PRO  16   6.558   8.572  -0.715
  121    HG3  PRO  16           3HG      PRO  16   5.713   9.548  -1.975
  122    HD2  PRO  16           2HD      PRO  16   5.329   9.784   0.773
  123    HD3  PRO  16           3HD      PRO  16   4.181  10.305  -0.472
  124    H    VAL  17           H        VAL  17   3.913   4.633  -0.156
  125    HA   VAL  17           HA       VAL  17   6.343   4.376   1.446
  126    HB   VAL  17           HB       VAL  17   5.294   2.909   3.080
  127   HG11  VAL  17          1HG1      VAL  17   5.460   5.285   3.610
  128   HG12  VAL  17          2HG1      VAL  17   3.864   5.556   2.906
  129   HG13  VAL  17          3HG1      VAL  17   4.032   4.559   4.354
  130   HG21  VAL  17          3HG2      VAL  17   2.696   3.590   1.707
  131   HG22  VAL  17          1HG2      VAL  17   3.479   2.008   1.762
  132   HG23  VAL  17          2HG2      VAL  17   2.842   2.728   3.241
  133    H    CYS  18           H        CYS  18   6.842   2.004   1.774
  134    HA   CYS  18           HA       CYS  18   6.123   0.556  -0.680
  135    HB2  CYS  18           2HB      CYS  18   8.430   1.251  -0.705
  136    HB3  CYS  18           3HB      CYS  18   8.698   0.547   0.899
  137    H    GLY  19           H        GLY  19   5.155  -1.347  -0.433
  138    HA2  GLY  19           2HA      GLY  19   4.801  -2.479   2.225
  139    HA3  GLY  19           3HA      GLY  19   4.173  -3.129   0.703
  140    H    SER  20           H        SER  20   5.653  -4.464   2.930
  141    HA   SER  20           HA       SER  20   8.360  -4.758   2.326
  142    HB2  SER  20           2HB      SER  20   8.268  -6.758   3.828
  143    HB3  SER  20           3HB      SER  20   7.581  -5.279   4.520
  144    HG   SER  20           HG       SER  20   6.378  -7.665   3.982
  145    H    ASP  21           H        ASP  21   5.715  -6.137   0.671
  146    HA   ASP  21           HA       ASP  21   7.128  -8.377  -0.418
  147    HB2  ASP  21           2HB      ASP  21   4.680  -8.287  -0.470
  148    HB3  ASP  21           3HB      ASP  21   4.746  -6.840  -1.486
  149    HD2  ASP  21           HD       ASP  21   5.069  -8.725  -4.339
  150    H    GLY  22           H        GLY  22   7.465  -5.086  -0.713
  151    HA2  GLY  22           2HA      GLY  22   9.157  -4.006  -1.942
  152    HA3  GLY  22           3HA      GLY  22   9.142  -5.350  -3.093
  153    H    VAL  23           H        VAL  23   6.166  -3.841  -2.000
  154    HA   VAL  23           HA       VAL  23   5.787  -2.976  -4.794
  155    HB   VAL  23           HB       VAL  23   4.258  -4.695  -4.217
  156   HG11  VAL  23          1HG1      VAL  23   3.513  -3.074  -1.797
  157   HG12  VAL  23          2HG1      VAL  23   2.724  -4.558  -2.323
  158   HG13  VAL  23          3HG1      VAL  23   4.409  -4.592  -1.810
  159   HG21  VAL  23          3HG2      VAL  23   2.817  -2.052  -4.071
  160   HG22  VAL  23          1HG2      VAL  23   3.317  -2.883  -5.543
  161   HG23  VAL  23          2HG2      VAL  23   2.093  -3.601  -4.496
  162    H    THR  24           H        THR  24   5.012  -0.943  -5.278
  163    HA   THR  24           HA       THR  24   5.520   1.082  -3.269
  164    HB   THR  24           HB       THR  24   4.616   1.373  -6.145
  165    HG1  THR  24           1HG      THR  24   6.708   0.445  -5.935
  166   HG21  THR  24          3HG2      THR  24   5.707   3.416  -4.209
  167   HG22  THR  24          1HG2      THR  24   4.055   3.333  -4.819
  168   HG23  THR  24          2HG2      THR  24   5.383   3.700  -5.919
  169    H    TYR  25           H        TYR  25   3.999   1.784  -1.949
  170    HA   TYR  25           HA       TYR  25   1.223   1.671  -2.854
  171    HB2  TYR  25           2HB      TYR  25   2.508   1.587  -0.141
  172    HB3  TYR  25           3HB      TYR  25   0.813   1.997  -0.337
  173    HD1  TYR  25           2HD      TYR  25  -0.467   0.359  -2.051
  174    HD2  TYR  25           1HD      TYR  25   2.939  -0.666   0.275
  175    HE1  TYR  25           2HE      TYR  25  -1.047  -2.012  -2.271
  176    HE2  TYR  25           1HE      TYR  25   2.370  -3.047   0.056
  177    HH   TYR  25           HH       TYR  25   0.104  -4.397  -0.399
  178    H    SER  26           H        SER  26   0.014   3.395  -2.991
  179    HA   SER  26           HA       SER  26   1.288   5.844  -3.521
  180    HB2  SER  26           2HB      SER  26  -0.672   5.110  -4.754
  181    HB3  SER  26           3HB      SER  26  -1.646   5.139  -3.275
  182    HG   SER  26           HG       SER  26  -0.658   7.519  -3.399
  183    H    ASN  27           H        ASN  27  -0.403   4.658  -0.706
  184    HA   ASN  27           HA       ASN  27   0.546   6.663   1.000
  185    HB2  ASN  27           2HB      ASN  27  -1.621   7.820   1.516
  186    HB3  ASN  27           3HB      ASN  27  -0.969   8.192  -0.086
  187   HD21  ASN  27          1HD2      ASN  27  -2.927   8.814  -0.913
  188   HD22  ASN  27          2HD2      ASN  27  -4.183   7.677  -1.278
  189    HA   PRO  28           HA       PRO  28  -0.801   3.927   4.254
  190    HB2  PRO  28           2HB      PRO  28  -2.630   6.089   5.288
  191    HB3  PRO  28           3HB      PRO  28  -1.462   5.082   6.147
  192    HG2  PRO  28           2HG      PRO  28  -0.915   7.610   5.514
  193    HG3  PRO  28           3HG      PRO  28   0.357   6.336   5.418
  194    HD2  PRO  28           2HD      PRO  28  -1.155   7.721   3.238
  195    HD3  PRO  28           3HD      PRO  28   0.506   7.110   3.252
  196    H    CYS  29           H        CYS  29  -3.468   5.871   2.915
  197    HA   CYS  29           HA       CYS  29  -5.605   4.182   3.437
  198    HB2  CYS  29           2HB      CYS  29  -5.943   6.405   2.586
  199    HB3  CYS  29           3HB      CYS  29  -5.085   6.018   1.085
  200    H    ASN  30           H        ASN  30  -3.464   4.240   0.617
  201    HA   ASN  30           HA       ASN  30  -4.666   2.064  -0.726
  202    HB2  ASN  30           2HB      ASN  30  -3.393   3.629  -1.978
  203    HB3  ASN  30           3HB      ASN  30  -1.976   3.412  -0.944
  204   HD21  ASN  30          1HD2      ASN  30  -3.812   0.660  -2.065
  205   HD22  ASN  30          2HD2      ASN  30  -2.606   0.082  -3.156
  206    H    PHE  31           H        PHE  31  -1.784   2.223   1.386
  207    HA   PHE  31           HA       PHE  31  -1.075  -0.478   1.120
  208    HB2  PHE  31           1HB      PHE  31   0.523   1.117   1.983
  209    HB3  PHE  31           2HB      PHE  31  -0.526   1.494   3.351
  210    HD1  PHE  31           1HD      PHE  31  -0.845  -0.129   5.179
  211    HD2  PHE  31           2HD      PHE  31   1.960  -0.829   2.049
  212    HE1  PHE  31           1HE      PHE  31   0.254  -1.848   6.546
  213    HE2  PHE  31           2HE      PHE  31   3.057  -2.543   3.419
  214    HZ   PHE  31           HZ       PHE  31   2.202  -3.059   5.666
  215    H    SER  32           H        SER  32  -3.064   1.182   3.561
  216    HA   SER  32           HA       SER  32  -3.396  -1.090   5.197
  217    HB2  SER  32           2HB      SER  32  -5.299   0.187   6.210
  218    HB3  SER  32           3HB      SER  32  -3.787   1.105   6.121
  219    HG   SER  32           HG       SER  32  -4.589   2.352   4.553
  220    H    ALA  33           H        ALA  33  -5.529   0.353   2.734
  221    HA   ALA  33           HA       ALA  33  -7.621  -1.509   3.068
  222    HB1  ALA  33           1HB      ALA  33  -6.938   0.185   0.669
  223    HB2  ALA  33           2HB      ALA  33  -8.481  -0.627   0.953
  224    HB3  ALA  33           3HB      ALA  33  -7.954   0.669   2.028
  225    H    GLN  34           H        GLN  34  -4.916  -1.367   0.790
  226    HA   GLN  34           HA       GLN  34  -5.658  -3.598  -0.756
  227    HB2  GLN  34           2HB      GLN  34  -4.049  -1.961  -1.524
  228    HB3  GLN  34           3HB      GLN  34  -2.956  -2.374  -0.195
  229    HG2  GLN  34           2HG      GLN  34  -2.010  -3.973  -1.371
  230    HG3  GLN  34           3HG      GLN  34  -3.574  -4.722  -1.701
  231   HE21  GLN  34          1HE2      GLN  34  -3.132  -5.232  -3.809
  232   HE22  GLN  34          2HE2      GLN  34  -2.933  -4.038  -5.049
  233    H    GLN  35           H        GLN  35  -3.820  -3.243   2.186
  234    HA   GLN  35           HA       GLN  35  -2.900  -5.956   2.221
  235    HB2  GLN  35           2HB      GLN  35  -2.459  -3.524   3.768
  236    HB3  GLN  35           3HB      GLN  35  -2.535  -4.975   4.779
  237    HG2  GLN  35           2HG      GLN  35  -0.250  -4.445   4.089
  238    HG3  GLN  35           3HG      GLN  35  -0.777  -6.012   3.495
  239   HE21  GLN  35          1HE2      GLN  35   0.501  -3.056   2.719
  240   HE22  GLN  35          2HE2      GLN  35   0.588  -3.294   1.015
  241    H    GLU  36           H        GLU  36  -5.527  -4.168   3.778
  242    HA   GLU  36           HA       GLU  36  -6.228  -6.320   5.534
  243    HB2  GLU  36           2HB      GLU  36  -8.246  -5.034   6.032
  244    HB3  GLU  36           3HB      GLU  36  -6.806  -4.008   6.091
  245    HG2  GLU  36           2HG      GLU  36  -7.322  -3.173   3.833
  246    HG3  GLU  36           3HG      GLU  36  -8.799  -4.148   3.842
  247    HE2  GLU  36           HE       GLU  36 -10.491  -1.763   5.613
  248    H    GLN  37           H        GLN  37  -7.020  -5.446   2.278
  249    HA   GLN  37           HA       GLN  37  -9.268  -7.284   2.193
  250    HB2  GLN  37           2HB      GLN  37  -8.049  -5.448   0.130
  251    HB3  GLN  37           3HB      GLN  37  -9.413  -6.530  -0.203
  252    HG2  GLN  37           2HG      GLN  37 -10.870  -5.330   1.173
  253    HG3  GLN  37           3HG      GLN  37  -9.541  -4.542   2.035
  254   HE21  GLN  37          1HE2      GLN  37  -8.082  -3.956  -0.402
  255   HE22  GLN  37          2HE2      GLN  37  -8.895  -2.626  -1.148
  256    H    CYS  38           H        CYS  38  -5.917  -7.145   1.164
  257    HA   CYS  38           HA       CYS  38  -6.393  -9.623  -0.331
  258    HB2  CYS  38           2HB      CYS  38  -4.487  -7.399  -1.034
  259    HB3  CYS  38           3HB      CYS  38  -4.705  -8.905  -1.949
  260    H    ASP  39           H        ASP  39  -3.404  -7.912   0.707
  261    HA   ASP  39           HA       ASP  39  -2.525 -10.546   1.697
  262    HB2  ASP  39           2HB      ASP  39  -1.342  -9.468  -0.379
  263    HB3  ASP  39           3HB      ASP  39  -0.532  -8.480   0.845
  264    HD2  ASP  39           HD       ASP  39   0.831 -12.035   0.287
  265    HA   PRO  40           HA       PRO  40  -2.656  -8.050   5.454
  266    HB2  PRO  40           2HB      PRO  40  -2.737 -10.213   7.140
  267    HB3  PRO  40           3HB      PRO  40  -4.148  -9.557   6.314
  268    HG2  PRO  40           2HG      PRO  40  -2.429 -11.897   5.594
  269    HG3  PRO  40           3HG      PRO  40  -4.224 -11.732   5.542
  270    HD2  PRO  40           2HD      PRO  40  -2.642 -11.570   3.330
  271    HD3  PRO  40           3HD      PRO  40  -4.166 -10.685   3.505
  272    H    ASN  41           H        ASN  41  -0.247 -10.107   4.240
  273    HA   ASN  41           HA       ASN  41   1.105 -10.499   6.771
  274    HB2  ASN  41           2HB      ASN  41   1.921 -11.421   4.012
  275    HB3  ASN  41           3HB      ASN  41   2.584 -11.983   5.553
  276   HD21  ASN  41          1HD2      ASN  41  -0.108 -12.097   3.389
  277   HD22  ASN  41          2HD2      ASN  41  -0.942 -13.410   4.167
  278    H    ILE  42           H        ILE  42   1.410  -8.305   4.103
  279    HA   ILE  42           HA       ILE  42   4.232  -7.920   4.679
  280    HB   ILE  42           HB       ILE  42   4.443  -6.553   2.806
  281   HG12  ILE  42          2HG1      ILE  42   1.434  -6.304   2.727
  282   HG13  ILE  42          3HG1      ILE  42   2.570  -5.046   3.246
  283   HG21  ILE  42          1HG2      ILE  42   2.311  -8.576   2.106
  284   HG22  ILE  42          2HG2      ILE  42   3.420  -7.805   0.973
  285   HG23  ILE  42          3HG2      ILE  42   4.046  -8.888   2.217
  286   HD11  ILE  42          3HD1      ILE  42   3.555  -5.018   1.004
  287   HD12  ILE  42          1HD1      ILE  42   2.373  -6.217   0.485
  288   HD13  ILE  42          2HD1      ILE  42   1.836  -4.617   0.995
  289    H    THR  43           H        THR  43   5.130  -5.917   5.149
  290    HA   THR  43           HA       THR  43   3.392  -4.099   6.673
  291    HB   THR  43           HB       THR  43   5.451  -3.868   8.221
  292    HG1  THR  43           1HG      THR  43   7.039  -5.234   7.918
  293   HG21  THR  43          3HG2      THR  43   3.844  -6.427   8.257
  294   HG22  THR  43          1HG2      THR  43   3.333  -4.879   8.931
  295   HG23  THR  43          2HG2      THR  43   4.709  -5.733   9.627
  296    H    ILE  44           H        ILE  44   4.707  -1.976   7.144
  297    HA   ILE  44           HA       ILE  44   5.475  -1.002   4.577
  298    HB   ILE  44           HB       ILE  44   5.760   0.336   7.284
  299   HG12  ILE  44          2HG1      ILE  44   3.856   1.770   6.222
  300   HG13  ILE  44          3HG1      ILE  44   3.608   0.353   5.192
  301   HG21  ILE  44          1HG2      ILE  44   7.334   1.255   5.666
  302   HG22  ILE  44          2HG2      ILE  44   6.018   1.516   4.521
  303   HG23  ILE  44          3HG2      ILE  44   6.059   2.415   6.039
  304   HD11  ILE  44          3HD1      ILE  44   2.104   0.342   7.109
  305   HD12  ILE  44          1HD1      ILE  44   3.208  -1.031   7.146
  306   HD13  ILE  44          2HD1      ILE  44   3.489   0.356   8.198
  307    H    ALA  45           H        ALA  45   7.350  -1.220   3.645
  308    HA   ALA  45           HA       ALA  45   9.615  -2.266   5.099
  309    HB1  ALA  45           1HB      ALA  45   9.397  -1.480   2.194
  310    HB2  ALA  45           2HB      ALA  45  10.681  -2.440   2.925
  311    HB3  ALA  45           3HB      ALA  45   9.038  -3.078   2.844
  312    H    HIS  46           H        HIS  46   8.844   0.667   3.286
  313    HA   HIS  46           HA       HIS  46  10.353   2.311   5.013
  314    HB2  HIS  46           2HB      HIS  46  12.095   3.088   3.524
  315    HB3  HIS  46           3HB      HIS  46  12.244   1.339   3.728
  316    HD1  HIS  46           1HD      HIS  46  11.574   3.950   1.153
  317    HD2  HIS  46           2HD      HIS  46  11.688  -0.200   1.431
  318    HE1  HIS  46           1HE      HIS  46  11.562   3.109  -1.214
  319    HE2  HIS  46           2HE      HIS  46  11.898   0.621  -1.016
  320    H    MET  47           H        MET  47  10.168   4.569   4.454
  321    HA   MET  47           HA       MET  47   7.705   5.105   3.045
  322    HB2  MET  47           2HB      MET  47   9.685   6.975   4.377
  323    HB3  MET  47           3HB      MET  47   8.128   7.470   3.696
  324    HG2  MET  47           2HG      MET  47   6.989   5.949   5.294
  325    HG3  MET  47           3HG      MET  47   8.564   5.609   6.018
  326    HE1  MET  47           3HE      MET  47   6.476   9.723   6.099
  327    HE2  MET  47           1HE      MET  47   7.093   8.995   4.615
  328    HE3  MET  47           2HE      MET  47   5.741   8.251   5.470
  329    H    GLY  48           H        GLY  48   7.490   5.903   1.058
  330    HA2  GLY  48           2HA      GLY  48   8.502   7.214  -0.794
  331    HA3  GLY  48           3HA      GLY  48   9.993   6.322  -0.456
  332    H    GLU  49           H        GLU  49   8.854   6.365  -2.977
  333    HA   GLU  49           HA       GLU  49   7.193   4.078  -3.404
  334    HB2  GLU  49           2HB      GLU  49   7.610   4.497  -5.817
  335    HB3  GLU  49           3HB      GLU  49   7.015   5.915  -4.943
  336    HG2  GLU  49           2HG      GLU  49   9.932   5.459  -5.566
  337    HG3  GLU  49           3HG      GLU  49   8.826   6.337  -6.633
  338    HE2  GLU  49           HE       GLU  49   8.882   9.151  -4.595
  339    H    CYS  50           H        CYS  50   7.716   2.128  -4.417
  340    HA   CYS  50           HA       CYS  50  10.516   1.313  -4.045
  341    HB2  CYS  50           1HB      CYS  50   7.994   0.181  -3.248
  342    HB3  CYS  50           2HB      CYS  50   8.874  -0.966  -4.264
  Start of MODEL    3
    1    H1   ALA   1           1H       ALA   1 -12.623  -6.113  -2.202
    2    H2   ALA   1           2H       ALA   1 -12.006  -5.084  -3.393
    3    H3   ALA   1           3H       ALA   1 -11.042  -5.516  -2.071
    4    HA   ALA   1           HA       ALA   1 -12.025  -7.340  -4.179
    5    HB1  ALA   1           2HB      ALA   1  -9.691  -7.482  -4.864
    6    HB2  ALA   1           3HB      ALA   1 -10.262  -5.817  -4.945
    7    HB3  ALA   1           1HB      ALA   1  -9.237  -6.334  -3.607
    8    H    GLU   2           H        GLU   2 -10.593  -9.368  -4.086
    9    HA   GLU   2           HA       GLU   2 -10.324 -10.246  -1.280
   10    HB2  GLU   2           2HB      GLU   2 -12.188 -11.361  -2.331
   11    HB3  GLU   2           3HB      GLU   2 -11.203 -11.772  -3.742
   12    HG2  GLU   2           2HG      GLU   2 -10.384 -12.806  -1.066
   13    HG3  GLU   2           3HG      GLU   2 -11.751 -13.552  -1.904
   14    HE2  GLU   2           HE       GLU   2  -9.512 -14.520  -4.559
   15    H    ASP   3           H        ASP   3  -9.162 -10.822  -4.578
   16    HA   ASP   3           HA       ASP   3  -6.454 -11.111  -3.468
   17    HB2  ASP   3           2HB      ASP   3  -7.065 -13.301  -4.236
   18    HB3  ASP   3           3HB      ASP   3  -7.718 -12.650  -5.745
   19    HD2  ASP   3           HD       ASP   3  -3.793 -13.138  -5.465
   20    H    CYS   4           H        CYS   4  -5.325  -9.364  -4.026
   21    HA   CYS   4           HA       CYS   4  -5.308  -8.579  -6.814
   22    HB2  CYS   4           2HB      CYS   4  -5.702  -6.240  -6.400
   23    HB3  CYS   4           3HB      CYS   4  -7.077  -7.180  -5.801
   24    H    VAL   5           H        VAL   5  -3.248  -8.565  -7.370
   25    HA   VAL   5           HA       VAL   5  -1.258  -7.776  -5.374
   26    HB   VAL   5           HB       VAL   5  -0.793  -9.945  -6.292
   27   HG11  VAL   5          1HG1      VAL   5  -0.928  -8.659  -9.014
   28   HG12  VAL   5          2HG1      VAL   5  -0.446 -10.323  -8.685
   29   HG13  VAL   5          3HG1      VAL   5  -2.092  -9.800  -8.340
   30   HG21  VAL   5          3HG2      VAL   5   1.122  -8.487  -5.903
   31   HG22  VAL   5          1HG2      VAL   5   1.419  -9.589  -7.248
   32   HG23  VAL   5          2HG2      VAL   5   1.014  -7.902  -7.558
   33    H    GLY   6           H        GLY   6  -0.479  -5.816  -5.484
   34    HA2  GLY   6           2HA      GLY   6   0.806  -4.391  -7.234
   35    HA3  GLY   6           3HA      GLY   6  -0.805  -4.282  -7.959
   36    H    ARG   7           H        ARG   7  -1.721  -2.405  -7.503
   37    HA   ARG   7           HA       ARG   7  -1.535  -1.442  -4.738
   38    HB2  ARG   7           2HB      ARG   7  -1.252   0.846  -5.477
   39    HB3  ARG   7           3HB      ARG   7   0.041  -0.160  -6.152
   40    HG2  ARG   7           2HG      ARG   7  -1.512  -0.323  -8.231
   41    HG3  ARG   7           3HG      ARG   7  -2.268   1.123  -7.538
   42    HD2  ARG   7           2HD      ARG   7   0.657   0.792  -8.247
   43    HD3  ARG   7           3HD      ARG   7  -0.545   1.726  -9.148
   44    HE   ARG   7           HE       ARG   7  -0.672   2.956  -6.809
   45   HH11  ARG   7          2HH1      ARG   7   2.136   1.790  -8.521
   46   HH12  ARG   7          1HH1      ARG   7   3.171   3.085  -7.994
   47   HH21  ARG   7          2HH2      ARG   7   0.678   4.681  -6.090
   48   HH22  ARG   7          1HH2      ARG   7   2.341   4.736  -6.618
   49    H    LYS   8           H        LYS   8  -3.400  -0.715  -3.896
   50    HA   LYS   8           HA       LYS   8  -5.777  -0.706  -5.603
   51    HB2  LYS   8           2HB      LYS   8  -5.425  -1.856  -3.216
   52    HB3  LYS   8           3HB      LYS   8  -5.870  -0.242  -2.646
   53    HG2  LYS   8           2HG      LYS   8  -7.555  -1.851  -4.553
   54    HG3  LYS   8           3HG      LYS   8  -7.741  -1.896  -2.793
   55    HD2  LYS   8           2HD      LYS   8  -8.181   0.530  -2.786
   56    HD3  LYS   8           3HD      LYS   8  -8.036   0.540  -4.552
   57    HE2  LYS   8           2HE      LYS   8 -10.052  -1.075  -2.975
   58    HE3  LYS   8           3HE      LYS   8 -10.381   0.455  -3.804
   59    HZ1  LYS   8           3HZ      LYS   8  -9.325  -1.912  -5.245
   60    HZ2  LYS   8           1HZ      LYS   8 -10.057  -0.529  -5.893
   61    HZ3  LYS   8           2HZ      LYS   8 -10.985  -1.653  -5.030
   62    H    ALA   9           H        ALA   9  -6.632   1.214  -6.249
   63    HA   ALA   9           HA       ALA   9  -4.925   3.463  -5.830
   64    HB1  ALA   9           1HB      ALA   9  -7.531   3.344  -7.334
   65    HB2  ALA   9           2HB      ALA   9  -6.297   4.595  -7.463
   66    HB3  ALA   9           3HB      ALA   9  -5.947   2.953  -8.005
   67    H    CYS  10           H        CYS  10  -4.991   4.729  -4.211
   68    HA   CYS  10           HA       CYS  10  -7.531   5.945  -3.420
   69    HB2  CYS  10           2HB      CYS  10  -6.925   4.226  -1.730
   70    HB3  CYS  10           3HB      CYS  10  -5.362   5.025  -1.496
   71    H    THR  11           H        THR  11  -7.266   8.187  -2.902
   72    HA   THR  11           HA       THR  11  -4.582   9.295  -2.949
   73    HB   THR  11           HB       THR  11  -6.575  10.178  -5.051
   74    HG1  THR  11           1HG      THR  11  -4.701   8.139  -5.028
   75   HG21  THR  11          3HG2      THR  11  -4.682  11.397  -5.977
   76   HG22  THR  11          1HG2      THR  11  -3.638  10.778  -4.700
   77   HG23  THR  11          2HG2      THR  11  -4.954  11.879  -4.302
   78    H    ARG  12           H        ARG  12  -5.757   9.478  -0.778
   79    HA   ARG  12           HA       ARG  12  -7.396  11.912  -0.668
   80    HB2  ARG  12           2HB      ARG  12  -6.869   9.999   1.613
   81    HB3  ARG  12           3HB      ARG  12  -8.215  11.132   1.416
   82    HG2  ARG  12           2HG      ARG  12  -8.904   9.763  -0.612
   83    HG3  ARG  12           3HG      ARG  12  -7.738   8.551  -0.042
   84    HD2  ARG  12           2HD      ARG  12  -9.997   9.621   1.646
   85    HD3  ARG  12           3HD      ARG  12 -10.112   8.168   0.638
   86    HE   ARG  12           HE       ARG  12  -8.190   7.321   2.037
   87   HH11  ARG  12          2HH1      ARG  12 -10.473   9.682   3.225
   88   HH12  ARG  12          1HH1      ARG  12 -10.374   9.147   4.880
   89   HH21  ARG  12          2HH2      ARG  12  -8.079   6.572   4.210
   90   HH22  ARG  12          1HH2      ARG  12  -9.030   7.352   5.435
   91    H    GLU  13           H        GLU  13  -4.350  11.041  -0.653
   92    HA   GLU  13           HA       GLU  13  -3.173  13.353   0.306
   93    HB2  GLU  13           2HB      GLU  13  -3.922  12.482   2.539
   94    HB3  GLU  13           3HB      GLU  13  -2.944  11.035   2.250
   95    HG2  GLU  13           2HG      GLU  13  -1.786  12.579   3.719
   96    HG3  GLU  13           3HG      GLU  13  -0.927  12.387   2.183
   97    HE2  GLU  13           HE       GLU  13  -2.356  15.935   3.117
   98    H    TRP  14           H        TRP  14  -0.833  13.204  -0.055
   99    HA   TRP  14           HA       TRP  14  -0.078  10.608  -1.234
  100    HB2  TRP  14           2HB      TRP  14  -0.206  12.449  -2.906
  101    HB3  TRP  14           3HB      TRP  14   1.028  13.322  -1.996
  102    HD1  TRP  14           1HD      TRP  14   3.541  12.585  -2.279
  103    HE1  TRP  14           1HE      TRP  14   4.735  10.941  -3.858
  104    HE3  TRP  14           3HE      TRP  14  -0.546  10.156  -4.145
  105    HZ2  TRP  14           2HZ      TRP  14   4.030   8.881  -5.660
  106    HZ3  TRP  14           3HZ      TRP  14  -0.203   8.361  -5.790
  107    HH2  TRP  14           2HH      TRP  14   2.039   7.739  -6.531
  108    H    TYR  15           H        TYR  15   0.702   9.805   0.681
  109    HA   TYR  15           HA       TYR  15   3.440  10.698   1.159
  110    HB2  TYR  15           2HB      TYR  15   1.523   9.396   3.123
  111    HB3  TYR  15           3HB      TYR  15   3.265   9.498   3.384
  112    HD1  TYR  15           1HD      TYR  15   4.111  12.098   2.792
  113    HD2  TYR  15           2HD      TYR  15   0.368  10.913   4.433
  114    HE1  TYR  15           1HE      TYR  15   3.875  14.311   3.835
  115    HE2  TYR  15           2HE      TYR  15   0.122  13.125   5.478
  116    HH   TYR  15           HH       TYR  15   2.105  15.770   4.687
  117    HA   PRO  16           HA       PRO  16   3.273   6.793  -0.953
  118    HB2  PRO  16           2HB      PRO  16   5.650   6.914  -2.216
  119    HB3  PRO  16           3HB      PRO  16   4.283   7.919  -2.696
  120    HG2  PRO  16           2HG      PRO  16   6.653   8.613  -1.001
  121    HG3  PRO  16           3HG      PRO  16   5.878   9.565  -2.318
  122    HD2  PRO  16           2HD      PRO  16   5.458   9.979   0.387
  123    HD3  PRO  16           3HD      PRO  16   4.312  10.421  -0.889
  124    H    VAL  17           H        VAL  17   3.869   4.796  -0.340
  125    HA   VAL  17           HA       VAL  17   6.251   4.482   1.333
  126    HB   VAL  17           HB       VAL  17   5.080   3.059   2.930
  127   HG11  VAL  17          1HG1      VAL  17   3.870   4.760   4.155
  128   HG12  VAL  17          2HG1      VAL  17   5.329   5.439   3.431
  129   HG13  VAL  17          3HG1      VAL  17   3.754   5.749   2.700
  130   HG21  VAL  17          3HG2      VAL  17   2.569   3.843   1.457
  131   HG22  VAL  17          1HG2      VAL  17   3.281   2.229   1.545
  132   HG23  VAL  17          2HG2      VAL  17   2.623   2.982   2.997
  133    H    CYS  18           H        CYS  18   6.552   2.038   1.774
  134    HA   CYS  18           HA       CYS  18   5.885   0.595  -0.699
  135    HB2  CYS  18           2HB      CYS  18   8.233   1.277  -0.642
  136    HB3  CYS  18           3HB      CYS  18   8.441   0.435   0.905
  137    H    GLY  19           H        GLY  19   4.957  -1.317  -0.468
  138    HA2  GLY  19           2HA      GLY  19   4.507  -2.403   2.195
  139    HA3  GLY  19           3HA      GLY  19   3.902  -3.059   0.665
  140    H    SER  20           H        SER  20   5.258  -4.403   2.913
  141    HA   SER  20           HA       SER  20   7.968  -4.811   2.504
  142    HB2  SER  20           2HB      SER  20   6.627  -5.403   4.545
  143    HB3  SER  20           3HB      SER  20   6.063  -6.840   3.676
  144    HG   SER  20           HG       SER  20   8.135  -7.638   3.626
  145    H    ASP  21           H        ASP  21   5.396  -6.029   0.599
  146    HA   ASP  21           HA       ASP  21   6.786  -8.307  -0.451
  147    HB2  ASP  21           2HB      ASP  21   4.310  -8.053  -0.546
  148    HB3  ASP  21           3HB      ASP  21   4.521  -6.710  -1.679
  149    HD2  ASP  21           HD       ASP  21   4.787  -8.857  -4.332
  150    H    GLY  22           H        GLY  22   7.284  -5.048  -0.675
  151    HA2  GLY  22           2HA      GLY  22   8.995  -3.977  -1.876
  152    HA3  GLY  22           3HA      GLY  22   8.981  -5.315  -3.033
  153    H    VAL  23           H        VAL  23   6.026  -3.774  -1.976
  154    HA   VAL  23           HA       VAL  23   5.648  -2.945  -4.777
  155    HB   VAL  23           HB       VAL  23   4.088  -4.632  -4.142
  156   HG11  VAL  23          1HG1      VAL  23   3.361  -2.902  -1.790
  157   HG12  VAL  23          2HG1      VAL  23   2.571  -4.412  -2.244
  158   HG13  VAL  23          3HG1      VAL  23   4.259  -4.418  -1.731
  159   HG21  VAL  23          3HG2      VAL  23   2.724  -1.943  -4.100
  160   HG22  VAL  23          1HG2      VAL  23   3.171  -2.868  -5.534
  161   HG23  VAL  23          2HG2      VAL  23   1.936  -3.486  -4.435
  162    H    THR  24           H        THR  24   4.955  -0.907  -5.290
  163    HA   THR  24           HA       THR  24   5.426   1.125  -3.292
  164    HB   THR  24           HB       THR  24   4.607   1.440  -6.185
  165    HG1  THR  24           1HG      THR  24   6.632   0.312  -5.844
  166   HG21  THR  24          3HG2      THR  24   5.860   3.377  -4.236
  167   HG22  THR  24          1HG2      THR  24   4.212   3.443  -4.861
  168   HG23  THR  24          2HG2      THR  24   5.579   3.692  -5.948
  169    H    TYR  25           H        TYR  25   3.901   2.003  -2.085
  170    HA   TYR  25           HA       TYR  25   1.132   1.931  -3.052
  171    HB2  TYR  25           2HB      TYR  25   2.332   1.965  -0.286
  172    HB3  TYR  25           3HB      TYR  25   0.634   2.272  -0.591
  173    HD1  TYR  25           2HD      TYR  25  -0.255   0.414  -2.506
  174    HD2  TYR  25           1HD      TYR  25   2.636  -0.183   0.549
  175    HE1  TYR  25           2HE      TYR  25  -0.716  -1.996  -2.558
  176    HE2  TYR  25           1HE      TYR  25   2.188  -2.600   0.502
  177    HH   TYR  25           HH       TYR  25   0.133  -4.108  -0.217
  178    H    SER  26           H        SER  26  -0.040   3.758  -3.168
  179    HA   SER  26           HA       SER  26   1.374   6.172  -3.581
  180    HB2  SER  26           2HB      SER  26  -1.603   5.603  -3.446
  181    HB3  SER  26           3HB      SER  26  -0.886   7.105  -4.049
  182    HG   SER  26           HG       SER  26  -0.982   6.046  -5.888
  183    H    ASN  27           H        ASN  27  -0.322   4.898  -0.831
  184    HA   ASN  27           HA       ASN  27   0.643   6.877   0.907
  185    HB2  ASN  27           2HB      ASN  27  -1.522   7.930   1.575
  186    HB3  ASN  27           3HB      ASN  27  -1.007   8.367  -0.058
  187   HD21  ASN  27          1HD2      ASN  27  -3.064   8.916  -0.709
  188   HD22  ASN  27          2HD2      ASN  27  -4.302   7.732  -0.989
  189    HA   PRO  28           HA       PRO  28  -0.418   3.955   4.106
  190    HB2  PRO  28           2HB      PRO  28  -2.284   5.952   5.360
  191    HB3  PRO  28           3HB      PRO  28  -0.992   4.993   6.082
  192    HG2  PRO  28           2HG      PRO  28  -0.656   7.576   5.539
  193    HG3  PRO  28           3HG      PRO  28   0.681   6.395   5.285
  194    HD2  PRO  28           2HD      PRO  28  -1.096   7.756   3.295
  195    HD3  PRO  28           3HD      PRO  28   0.612   7.300   3.167
  196    H    CYS  29           H        CYS  29  -3.247   5.805   3.002
  197    HA   CYS  29           HA       CYS  29  -5.262   3.984   3.532
  198    HB2  CYS  29           2HB      CYS  29  -5.758   6.210   2.846
  199    HB3  CYS  29           3HB      CYS  29  -4.901   5.999   1.311
  200    H    ASN  30           H        ASN  30  -3.179   4.269   0.698
  201    HA   ASN  30           HA       ASN  30  -4.242   2.196  -0.865
  202    HB2  ASN  30           2HB      ASN  30  -2.600   4.037  -1.510
  203    HB3  ASN  30           3HB      ASN  30  -1.341   3.053  -0.758
  204   HD21  ASN  30          1HD2      ASN  30  -2.715   0.551  -1.768
  205   HD22  ASN  30          2HD2      ASN  30  -2.262   0.493  -3.435
  206    H    PHE  31           H        PHE  31  -1.569   2.207   1.469
  207    HA   PHE  31           HA       PHE  31  -0.877  -0.509   1.214
  208    HB2  PHE  31           1HB      PHE  31   0.697   1.059   2.146
  209    HB3  PHE  31           2HB      PHE  31  -0.425   1.499   3.435
  210    HD1  PHE  31           2HD      PHE  31  -0.847  -0.024   5.311
  211    HD2  PHE  31           1HD      PHE  31   2.058  -0.934   2.330
  212    HE1  PHE  31           2HE      PHE  31   0.137  -1.722   6.790
  213    HE2  PHE  31           1HE      PHE  31   3.051  -2.620   3.813
  214    HZ   PHE  31           HZ       PHE  31   2.088  -3.027   6.038
  215    H    SER  32           H        SER  32  -2.963   1.212   3.513
  216    HA   SER  32           HA       SER  32  -3.408  -0.980   5.224
  217    HB2  SER  32           2HB      SER  32  -3.814   1.559   5.606
  218    HB3  SER  32           3HB      SER  32  -5.393   1.254   4.861
  219    HG   SER  32           HG       SER  32  -5.849  -0.240   6.493
  220    H    ALA  33           H        ALA  33  -5.387   0.373   2.584
  221    HA   ALA  33           HA       ALA  33  -7.498  -1.496   2.816
  222    HB1  ALA  33           1HB      ALA  33  -8.200  -0.681   0.637
  223    HB2  ALA  33           2HB      ALA  33  -7.699   0.664   1.662
  224    HB3  ALA  33           3HB      ALA  33  -6.624   0.077   0.393
  225    H    GLN  34           H        GLN  34  -4.602  -1.407   0.781
  226    HA   GLN  34           HA       GLN  34  -5.201  -3.679  -0.765
  227    HB2  GLN  34           2HB      GLN  34  -3.441  -1.945  -1.244
  228    HB3  GLN  34           3HB      GLN  34  -2.451  -2.695   0.017
  229    HG2  GLN  34           2HG      GLN  34  -1.655  -3.537  -2.027
  230    HG3  GLN  34           3HG      GLN  34  -2.597  -4.834  -1.283
  231   HE21  GLN  34          1HE2      GLN  34  -1.941  -4.465  -4.073
  232   HE22  GLN  34          2HE2      GLN  34  -3.447  -4.370  -4.915
  233    H    GLN  35           H        GLN  35  -3.511  -3.268   2.281
  234    HA   GLN  35           HA       GLN  35  -2.689  -5.995   2.425
  235    HB2  GLN  35           2HB      GLN  35  -2.354  -3.548   4.018
  236    HB3  GLN  35           3HB      GLN  35  -2.372  -5.051   4.954
  237    HG2  GLN  35           2HG      GLN  35  -0.111  -4.343   4.278
  238    HG3  GLN  35           3HG      GLN  35  -0.551  -5.938   3.683
  239   HE21  GLN  35          1HE2      GLN  35   0.605  -2.954   2.900
  240   HE22  GLN  35          2HE2      GLN  35   0.652  -3.161   1.190
  241    H    GLU  36           H        GLU  36  -5.393  -4.145   3.753
  242    HA   GLU  36           HA       GLU  36  -6.157  -6.157   5.591
  243    HB2  GLU  36           2HB      GLU  36  -8.237  -4.984   5.866
  244    HB3  GLU  36           3HB      GLU  36  -6.910  -3.815   5.786
  245    HG2  GLU  36           2HG      GLU  36  -7.480  -3.225   3.524
  246    HG3  GLU  36           3HG      GLU  36  -8.716  -4.492   3.478
  247    HE2  GLU  36           HE       GLU  36 -10.996  -2.535   5.183
  248    H    GLN  37           H        GLN  37  -7.148  -5.529   2.207
  249    HA   GLN  37           HA       GLN  37  -8.702  -8.013   2.443
  250    HB2  GLN  37           2HB      GLN  37  -9.846  -7.116   0.277
  251    HB3  GLN  37           3HB      GLN  37 -10.347  -6.564   1.877
  252    HG2  GLN  37           2HG      GLN  37 -10.271  -4.586   0.740
  253    HG3  GLN  37           3HG      GLN  37  -8.642  -4.636   1.430
  254   HE21  GLN  37          1HE2      GLN  37  -6.893  -4.861   0.090
  255   HE22  GLN  37          2HE2      GLN  37  -7.004  -4.757  -1.629
  256    H    CYS  38           H        CYS  38  -5.759  -7.236   1.237
  257    HA   CYS  38           HA       CYS  38  -6.100  -9.439  -0.665
  258    HB2  CYS  38           2HB      CYS  38  -4.721  -6.835  -1.238
  259    HB3  CYS  38           3HB      CYS  38  -4.376  -8.304  -2.168
  260    H    ASP  39           H        ASP  39  -3.346  -7.522   0.710
  261    HA   ASP  39           HA       ASP  39  -2.105 -10.159   1.211
  262    HB2  ASP  39           2HB      ASP  39  -0.966  -8.612  -0.503
  263    HB3  ASP  39           3HB      ASP  39  -0.510  -7.625   0.892
  264    HD2  ASP  39           HD       ASP  39   1.490 -10.383   2.113
  265    HA   PRO  40           HA       PRO  40  -2.849  -8.407   5.346
  266    HB2  PRO  40           2HB      PRO  40  -2.759 -11.243   6.172
  267    HB3  PRO  40           3HB      PRO  40  -4.058 -10.063   6.327
  268    HG2  PRO  40           2HG      PRO  40  -4.165 -12.134   4.607
  269    HG3  PRO  40           3HG      PRO  40  -4.922 -10.540   4.239
  270    HD2  PRO  40           2HD      PRO  40  -2.308 -11.696   3.279
  271    HD3  PRO  40           3HD      PRO  40  -3.555 -10.822   2.372
  272    H    ASN  41           H        ASN  41  -0.217 -10.095   4.030
  273    HA   ASN  41           HA       ASN  41   0.933 -10.791   6.620
  274    HB2  ASN  41           2HB      ASN  41   1.736 -11.522   3.801
  275    HB3  ASN  41           3HB      ASN  41   2.576 -12.074   5.257
  276   HD21  ASN  41          1HD2      ASN  41   1.030 -13.498   3.136
  277   HD22  ASN  41          2HD2      ASN  41  -0.144 -14.440   4.001
  278    H    ILE  42           H        ILE  42   1.402  -8.382   4.174
  279    HA   ILE  42           HA       ILE  42   4.195  -8.057   4.929
  280    HB   ILE  42           HB       ILE  42   4.459  -6.509   3.157
  281   HG12  ILE  42          2HG1      ILE  42   1.466  -6.611   2.760
  282   HG13  ILE  42          3HG1      ILE  42   2.353  -5.259   3.485
  283   HG21  ILE  42          1HG2      ILE  42   2.647  -8.729   2.242
  284   HG22  ILE  42          2HG2      ILE  42   3.744  -7.798   1.225
  285   HG23  ILE  42          3HG2      ILE  42   4.392  -8.841   2.490
  286   HD11  ILE  42          3HD1      ILE  42   3.575  -4.937   1.391
  287   HD12  ILE  42          1HD1      ILE  42   2.652  -6.251   0.659
  288   HD13  ILE  42          2HD1      ILE  42   1.831  -4.777   1.183
  289    H    THR  43           H        THR  43   5.088  -6.009   5.429
  290    HA   THR  43           HA       THR  43   3.304  -4.231   6.951
  291    HB   THR  43           HB       THR  43   5.365  -3.797   8.381
  292    HG1  THR  43           1HG      THR  43   6.896  -5.587   8.322
  293   HG21  THR  43          3HG2      THR  43   4.189  -6.577   8.421
  294   HG22  THR  43          1HG2      THR  43   3.500  -5.150   9.195
  295   HG23  THR  43          2HG2      THR  43   5.039  -5.802   9.759
  296    H    ILE  44           H        ILE  44   4.376  -1.986   7.232
  297    HA   ILE  44           HA       ILE  44   5.126  -0.956   4.700
  298    HB   ILE  44           HB       ILE  44   5.541   0.300   7.423
  299   HG12  ILE  44          2HG1      ILE  44   3.265   0.596   5.444
  300   HG13  ILE  44          3HG1      ILE  44   3.181  -0.272   6.986
  301   HG21  ILE  44          1HG2      ILE  44   5.511   1.520   4.662
  302   HG22  ILE  44          2HG2      ILE  44   5.576   2.427   6.173
  303   HG23  ILE  44          3HG2      ILE  44   6.909   1.359   5.727
  304   HD11  ILE  44          3HD1      ILE  44   2.156   1.923   7.158
  305   HD12  ILE  44          1HD1      ILE  44   3.572   1.799   8.200
  306   HD13  ILE  44          2HD1      ILE  44   3.674   2.679   6.675
  307    H    ALA  45           H        ALA  45   6.997  -1.158   3.719
  308    HA   ALA  45           HA       ALA  45   9.293  -2.219   5.094
  309    HB1  ALA  45           1HB      ALA  45   8.703  -2.959   2.831
  310    HB2  ALA  45           2HB      ALA  45   9.000  -1.328   2.226
  311    HB3  ALA  45           3HB      ALA  45  10.329  -2.277   2.894
  312    H    HIS  46           H        HIS  46   8.571   0.777   3.313
  313    HA   HIS  46           HA       HIS  46  10.128   2.331   5.110
  314    HB2  HIS  46           2HB      HIS  46  11.881   3.086   3.650
  315    HB3  HIS  46           3HB      HIS  46  11.943   1.325   3.726
  316    HD1  HIS  46           1HD      HIS  46  11.208   4.142   1.379
  317    HD2  HIS  46           2HD      HIS  46  11.394  -0.012   1.325
  318    HE1  HIS  46           1HE      HIS  46  11.137   3.492  -1.046
  319    HE2  HIS  46           2HE      HIS  46  11.517   1.005  -1.051
  320    H    MET  47           H        MET  47  10.101   4.601   4.606
  321    HA   MET  47           HA       MET  47   7.723   5.465   3.251
  322    HB2  MET  47           2HB      MET  47   8.559   6.621   5.252
  323    HB3  MET  47           3HB      MET  47  10.049   7.036   4.390
  324    HG2  MET  47           2HG      MET  47   8.622   8.964   4.476
  325    HG3  MET  47           3HG      MET  47   8.749   8.385   2.813
  326    HE1  MET  47           3HE      MET  47   5.057   7.591   5.469
  327    HE2  MET  47           1HE      MET  47   6.573   6.705   5.632
  328    HE3  MET  47           2HE      MET  47   6.505   8.420   6.036
  329    H    GLY  48           H        GLY  48   7.571   6.453   1.260
  330    HA2  GLY  48           2HA      GLY  48   8.578   7.500  -0.676
  331    HA3  GLY  48           3HA      GLY  48  10.053   6.582  -0.334
  332    H    GLU  49           H        GLU  49   8.808   6.610  -2.840
  333    HA   GLU  49           HA       GLU  49   7.124   4.320  -3.151
  334    HB2  GLU  49           2HB      GLU  49   7.431   4.696  -5.585
  335    HB3  GLU  49           3HB      GLU  49   6.884   6.134  -4.713
  336    HG2  GLU  49           2HG      GLU  49   9.788   5.695  -5.349
  337    HG3  GLU  49           3HG      GLU  49   8.671   6.416  -6.518
  338    HE2  GLU  49           HE       GLU  49   9.871   8.598  -3.457
  339    H    CYS  50           H        CYS  50   7.612   2.356  -4.164
  340    HA   CYS  50           HA       CYS  50  10.394   1.537  -3.839
  341    HB2  CYS  50           1HB      CYS  50   7.833   0.311  -3.351
  342    HB3  CYS  50           2HB      CYS  50   8.815  -0.713  -4.407
  Start of MODEL    4
    1    H1   ALA   1           1H       ALA   1 -10.520  -9.186  -0.136
    2    H2   ALA   1           2H       ALA   1 -11.189 -10.738  -0.040
    3    H3   ALA   1           3H       ALA   1 -12.000  -9.519  -0.893
    4    HA   ALA   1           HA       ALA   1 -10.962 -10.977  -2.446
    5    HB1  ALA   1           2HB      ALA   1  -9.450  -8.370  -2.213
    6    HB2  ALA   1           3HB      ALA   1  -9.562  -9.377  -3.659
    7    HB3  ALA   1           1HB      ALA   1 -11.008  -8.598  -3.012
    8    H    GLU   2           H        GLU   2  -9.996 -12.738  -1.324
    9    HA   GLU   2           HA       GLU   2  -7.636 -12.641   0.138
   10    HB2  GLU   2           2HB      GLU   2  -7.436 -15.131  -0.609
   11    HB3  GLU   2           3HB      GLU   2  -8.771 -14.619   0.437
   12    HG2  GLU   2           2HG      GLU   2  -9.166 -14.672  -2.528
   13    HG3  GLU   2           3HG      GLU   2  -9.210 -16.180  -1.604
   14    HE2  GLU   2           HE       GLU   2 -12.303 -15.442  -0.270
   15    H    ASP   3           H        ASP   3  -8.075 -12.692  -3.318
   16    HA   ASP   3           HA       ASP   3  -5.152 -12.469  -3.519
   17    HB2  ASP   3           2HB      ASP   3  -5.772 -14.595  -4.518
   18    HB3  ASP   3           3HB      ASP   3  -6.984 -13.793  -5.524
   19    HD2  ASP   3           HD       ASP   3  -4.634 -12.874  -7.868
   20    H    CYS   4           H        CYS   4  -4.863 -10.363  -3.755
   21    HA   CYS   4           HA       CYS   4  -5.497  -9.385  -6.386
   22    HB2  CYS   4           2HB      CYS   4  -5.903  -7.062  -5.116
   23    HB3  CYS   4           3HB      CYS   4  -7.222  -8.166  -5.544
   24    H    VAL   5           H        VAL   5  -3.574  -8.883  -7.196
   25    HA   VAL   5           HA       VAL   5  -1.544  -7.869  -5.340
   26    HB   VAL   5           HB       VAL   5  -0.958 -10.115  -5.907
   27   HG11  VAL   5          1HG1      VAL   5  -0.582 -10.839  -8.234
   28   HG12  VAL   5          2HG1      VAL   5  -2.267 -10.422  -7.925
   29   HG13  VAL   5          3HG1      VAL   5  -1.225  -9.298  -8.799
   30   HG21  VAL   5          3HG2      VAL   5   1.216  -9.781  -6.978
   31   HG22  VAL   5          1HG2      VAL   5   0.701  -8.175  -7.492
   32   HG23  VAL   5          2HG2      VAL   5   0.872  -8.538  -5.775
   33    H    GLY   6           H        GLY   6  -0.665  -6.006  -5.820
   34    HA2  GLY   6           2HA      GLY   6   0.398  -4.808  -7.841
   35    HA3  GLY   6           3HA      GLY   6  -1.276  -4.799  -8.418
   36    H    ARG   7           H        ARG   7  -1.736  -2.659  -8.313
   37    HA   ARG   7           HA       ARG   7  -1.546  -1.447  -5.637
   38    HB2  ARG   7           2HB      ARG   7   0.108  -0.472  -7.194
   39    HB3  ARG   7           3HB      ARG   7  -1.211  -0.034  -8.293
   40    HG2  ARG   7           2HG      ARG   7  -2.162   1.440  -6.573
   41    HG3  ARG   7           3HG      ARG   7  -0.818   1.017  -5.497
   42    HD2  ARG   7           2HD      ARG   7  -0.421   3.168  -6.608
   43    HD3  ARG   7           3HD      ARG   7   0.775   1.954  -7.085
   44    HE   ARG   7           HE       ARG   7  -1.508   2.174  -8.859
   45   HH11  ARG   7          2HH1      ARG   7   1.728   3.335  -8.139
   46   HH12  ARG   7          1HH1      ARG   7   2.066   3.801  -9.780
   47   HH21  ARG   7          2HH2      ARG   7  -1.063   2.790 -11.013
   48   HH22  ARG   7          1HH2      ARG   7   0.478   3.483 -11.412
   49    H    LYS   8           H        LYS   8  -3.390  -0.712  -4.836
   50    HA   LYS   8           HA       LYS   8  -5.696  -0.363  -6.601
   51    HB2  LYS   8           2HB      LYS   8  -5.412  -0.592  -3.602
   52    HB3  LYS   8           3HB      LYS   8  -6.916  -0.063  -4.366
   53    HG2  LYS   8           2HG      LYS   8  -5.558  -2.716  -4.845
   54    HG3  LYS   8           3HG      LYS   8  -6.946  -2.440  -3.777
   55    HD2  LYS   8           2HD      LYS   8  -8.222  -1.588  -5.752
   56    HD3  LYS   8           3HD      LYS   8  -6.855  -2.079  -6.768
   57    HE2  LYS   8           2HE      LYS   8  -7.108  -4.402  -6.001
   58    HE3  LYS   8           3HE      LYS   8  -8.477  -3.905  -4.994
   59    HZ1  LYS   8           3HZ      LYS   8  -8.334  -3.813  -7.961
   60    HZ2  LYS   8           1HZ      LYS   8  -9.621  -3.198  -7.044
   61    HZ3  LYS   8           2HZ      LYS   8  -9.281  -4.859  -7.021
   62    H    ALA   9           H        ALA   9  -6.660   1.676  -6.843
   63    HA   ALA   9           HA       ALA   9  -4.834   3.831  -6.132
   64    HB1  ALA   9           1HB      ALA   9  -7.226   3.868  -7.964
   65    HB2  ALA   9           2HB      ALA   9  -6.048   5.164  -7.756
   66    HB3  ALA   9           3HB      ALA   9  -5.550   3.624  -8.453
   67    H    CYS  10           H        CYS  10  -5.134   4.892  -4.323
   68    HA   CYS  10           HA       CYS  10  -7.780   6.056  -3.883
   69    HB2  CYS  10           2HB      CYS  10  -7.649   5.807  -1.500
   70    HB3  CYS  10           3HB      CYS  10  -7.397   4.202  -2.219
   71    H    THR  11           H        THR  11  -7.644   8.225  -3.019
   72    HA   THR  11           HA       THR  11  -4.972   9.358  -2.842
   73    HB   THR  11           HB       THR  11  -6.944  10.390  -4.891
   74    HG1  THR  11           1HG      THR  11  -4.962   8.456  -5.012
   75   HG21  THR  11          3HG2      THR  11  -5.501  12.122  -3.983
   76   HG22  THR  11          1HG2      THR  11  -5.021  11.745  -5.638
   77   HG23  THR  11          2HG2      THR  11  -4.078  11.124  -4.280
   78    H    ARG  12           H        ARG  12  -5.584   9.792  -0.703
   79    HA   ARG  12           HA       ARG  12  -7.477  12.031  -0.401
   80    HB2  ARG  12           2HB      ARG  12  -6.196  10.530   1.873
   81    HB3  ARG  12           3HB      ARG  12  -7.708  11.450   1.866
   82    HG2  ARG  12           2HG      ARG  12  -8.817   9.731   0.583
   83    HG3  ARG  12           3HG      ARG  12  -7.295   8.835   0.435
   84    HD2  ARG  12           2HD      ARG  12  -7.230   8.766   2.970
   85    HD3  ARG  12           3HD      ARG  12  -8.896   9.357   2.926
   86    HE   ARG  12           HE       ARG  12  -8.717   7.093   1.273
   87   HH11  ARG  12          2HH1      ARG  12  -8.498   7.960   4.654
   88   HH12  ARG  12          1HH1      ARG  12  -9.033   6.409   5.223
   89   HH21  ARG  12          2HH2      ARG  12  -9.451   5.067   2.001
   90   HH22  ARG  12          1HH2      ARG  12  -9.586   4.755   3.705
   91    H    GLU  13           H        GLU  13  -4.219  11.165  -0.512
   92    HA   GLU  13           HA       GLU  13  -3.071  13.643   0.100
   93    HB2  GLU  13           2HB      GLU  13  -3.895  13.165   2.367
   94    HB3  GLU  13           3HB      GLU  13  -3.072  11.597   2.342
   95    HG2  GLU  13           2HG      GLU  13  -0.909  12.697   2.290
   96    HG3  GLU  13           3HG      GLU  13  -1.709  14.275   2.252
   97    HE2  GLU  13           HE       GLU  13  -1.704  14.281   5.670
   98    H    TRP  14           H        TRP  14  -0.600  13.354   0.233
   99    HA   TRP  14           HA       TRP  14   0.115  10.791  -1.029
  100    HB2  TRP  14           2HB      TRP  14   0.240  12.674  -2.607
  101    HB3  TRP  14           3HB      TRP  14   1.335  13.519  -1.512
  102    HD1  TRP  14           1HD      TRP  14   3.881  12.896  -1.586
  103    HE1  TRP  14           1HE      TRP  14   5.304  11.346  -3.072
  104    HE3  TRP  14           3HE      TRP  14   0.118  10.355  -3.920
  105    HZ2  TRP  14           2HZ      TRP  14   4.878   9.312  -4.979
  106    HZ3  TRP  14           3HZ      TRP  14   0.711   8.625  -5.563
  107    HH2  TRP  14           2HH      TRP  14   3.040   8.114  -6.082
  108    H    TYR  15           H        TYR  15   0.708   9.809   0.904
  109    HA   TYR  15           HA       TYR  15   3.402  10.614   1.680
  110    HB2  TYR  15           2HB      TYR  15   1.247   9.405   3.423
  111    HB3  TYR  15           3HB      TYR  15   2.958   9.206   3.804
  112    HD1  TYR  15           2HD      TYR  15   4.158  11.764   3.256
  113    HD2  TYR  15           1HD      TYR  15   0.345  10.919   4.938
  114    HE1  TYR  15           2HE      TYR  15   4.182  13.949   4.388
  115    HE2  TYR  15           1HE      TYR  15   0.358  13.100   6.073
  116    HH   TYR  15           HH       TYR  15   2.541  15.561   5.301
  117    HA   PRO  16           HA       PRO  16   3.456   6.810  -0.611
  118    HB2  PRO  16           2HB      PRO  16   5.901   7.067  -1.702
  119    HB3  PRO  16           3HB      PRO  16   4.538   8.063  -2.210
  120    HG2  PRO  16           2HG      PRO  16   6.785   8.717  -0.340
  121    HG3  PRO  16           3HG      PRO  16   6.047   9.728  -1.638
  122    HD2  PRO  16           2HD      PRO  16   5.473   9.936   1.069
  123    HD3  PRO  16           3HD      PRO  16   4.408  10.466  -0.243
  124    H    VAL  17           H        VAL  17   4.091   4.783  -0.109
  125    HA   VAL  17           HA       VAL  17   6.456   4.368   1.555
  126    HB   VAL  17           HB       VAL  17   5.270   2.813   3.062
  127   HG11  VAL  17          1HG1      VAL  17   4.127   4.470   4.453
  128   HG12  VAL  17          2HG1      VAL  17   5.655   5.085   3.824
  129   HG13  VAL  17          3HG1      VAL  17   4.133   5.605   3.102
  130   HG21  VAL  17          3HG2      VAL  17   2.822   2.839   3.185
  131   HG22  VAL  17          1HG2      VAL  17   2.772   3.869   1.752
  132   HG23  VAL  17          2HG2      VAL  17   3.404   2.225   1.635
  133    H    CYS  18           H        CYS  18   6.878   1.951   1.772
  134    HA   CYS  18           HA       CYS  18   5.926   0.540  -0.633
  135    HB2  CYS  18           2HB      CYS  18   8.331   1.296  -0.699
  136    HB3  CYS  18           3HB      CYS  18   8.637   0.182   0.647
  137    H    GLY  19           H        GLY  19   5.246  -1.541  -0.351
  138    HA2  GLY  19           2HA      GLY  19   5.057  -2.467   2.437
  139    HA3  GLY  19           3HA      GLY  19   4.151  -3.103   1.057
  140    H    SER  20           H        SER  20   5.537  -4.708   2.956
  141    HA   SER  20           HA       SER  20   8.157  -5.367   2.359
  142    HB2  SER  20           2HB      SER  20   5.981  -7.138   3.491
  143    HB3  SER  20           3HB      SER  20   7.714  -7.503   3.537
  144    HG   SER  20           HG       SER  20   8.013  -5.569   4.742
  145    H    ASP  21           H        ASP  21   5.418  -6.084   0.444
  146    HA   ASP  21           HA       ASP  21   6.544  -8.368  -0.892
  147    HB2  ASP  21           2HB      ASP  21   4.115  -7.973  -0.877
  148    HB3  ASP  21           3HB      ASP  21   4.352  -6.454  -1.751
  149    HD2  ASP  21           HD       ASP  21   4.457  -8.073  -4.782
  150    H    GLY  22           H        GLY  22   7.374  -5.199  -0.752
  151    HA2  GLY  22           2HA      GLY  22   8.916  -3.959  -1.964
  152    HA3  GLY  22           3HA      GLY  22   8.927  -5.234  -3.191
  153    H    VAL  23           H        VAL  23   6.011  -3.778  -1.915
  154    HA   VAL  23           HA       VAL  23   5.380  -3.036  -4.689
  155    HB   VAL  23           HB       VAL  23   3.859  -4.650  -3.855
  156   HG11  VAL  23          1HG1      VAL  23   3.435  -2.873  -1.462
  157   HG12  VAL  23          2HG1      VAL  23   2.566  -4.368  -1.802
  158   HG13  VAL  23          3HG1      VAL  23   4.299  -4.409  -1.483
  159   HG21  VAL  23          3HG2      VAL  23   1.701  -3.470  -3.907
  160   HG22  VAL  23          1HG2      VAL  23   2.552  -1.938  -3.715
  161   HG23  VAL  23          2HG2      VAL  23   2.801  -2.909  -5.168
  162    H    THR  24           H        THR  24   4.690  -1.057  -5.251
  163    HA   THR  24           HA       THR  24   5.409   1.146  -3.573
  164    HB   THR  24           HB       THR  24   3.943   1.407  -6.171
  165    HG1  THR  24           1HG      THR  24   6.711   1.051  -6.333
  166   HG21  THR  24          3HG2      THR  24   6.306   2.876  -5.006
  167   HG22  THR  24          1HG2      THR  24   4.628   3.423  -4.957
  168   HG23  THR  24          2HG2      THR  24   5.465   3.275  -6.503
  169    H    TYR  25           H        TYR  25   4.030   1.957  -2.091
  170    HA   TYR  25           HA       TYR  25   1.174   1.942  -2.712
  171    HB2  TYR  25           2HB      TYR  25   2.728   2.094  -0.141
  172    HB3  TYR  25           3HB      TYR  25   1.022   2.485  -0.229
  173    HD1  TYR  25           1HD      TYR  25  -0.467   0.668  -1.481
  174    HD2  TYR  25           2HD      TYR  25   3.275  -0.095   0.384
  175    HE1  TYR  25           1HE      TYR  25  -1.051  -1.710  -1.297
  176    HE2  TYR  25           2HE      TYR  25   2.699  -2.473   0.572
  177    HH   TYR  25           HH       TYR  25   0.091  -3.869  -1.077
  178    H    SER  26           H        SER  26   0.095   3.739  -3.000
  179    HA   SER  26           HA       SER  26   1.544   6.103  -3.612
  180    HB2  SER  26           2HB      SER  26  -0.390   5.408  -4.921
  181    HB3  SER  26           3HB      SER  26  -1.434   5.548  -3.497
  182    HG   SER  26           HG       SER  26  -0.404   7.865  -3.602
  183    H    ASN  27           H        ASN  27  -0.150   5.013  -0.794
  184    HA   ASN  27           HA       ASN  27   0.607   7.073   0.896
  185    HB2  ASN  27           2HB      ASN  27  -1.482   8.359   1.155
  186    HB3  ASN  27           3HB      ASN  27  -0.809   8.546  -0.469
  187   HD21  ASN  27          1HD2      ASN  27  -3.503   8.973   0.436
  188   HD22  ASN  27          2HD2      ASN  27  -4.511   7.907  -0.487
  189    HA   PRO  28           HA       PRO  28  -0.874   4.639   4.217
  190    HB2  PRO  28           2HB      PRO  28  -3.113   6.563   4.820
  191    HB3  PRO  28           3HB      PRO  28  -1.939   5.812   5.899
  192    HG2  PRO  28           2HG      PRO  28  -1.656   8.325   5.075
  193    HG3  PRO  28           3HG      PRO  28  -0.227   7.240   5.253
  194    HD2  PRO  28           2HD      PRO  28  -1.603   8.230   2.797
  195    HD3  PRO  28           3HD      PRO  28   0.100   7.820   3.059
  196    H    CYS  29           H        CYS  29  -3.850   5.936   2.635
  197    HA   CYS  29           HA       CYS  29  -5.485   3.800   3.424
  198    HB2  CYS  29           2HB      CYS  29  -6.962   4.450   1.507
  199    HB3  CYS  29           3HB      CYS  29  -6.576   5.750   2.648
  200    H    ASN  30           H        ASN  30  -3.391   4.199   0.680
  201    HA   ASN  30           HA       ASN  30  -4.306   2.022  -0.821
  202    HB2  ASN  30           2HB      ASN  30  -2.916   3.857  -1.709
  203    HB3  ASN  30           3HB      ASN  30  -1.548   3.266  -0.760
  204   HD21  ASN  30          1HD2      ASN  30  -3.697   1.001  -2.267
  205   HD22  ASN  30          2HD2      ASN  30  -2.638   0.541  -3.531
  206    H    PHE  31           H        PHE  31  -1.656   2.279   1.528
  207    HA   PHE  31           HA       PHE  31  -0.805  -0.414   1.360
  208    HB2  PHE  31           1HB      PHE  31   0.579   1.385   2.297
  209    HB3  PHE  31           2HB      PHE  31  -0.570   1.602   3.618
  210    HD1  PHE  31           1HD      PHE  31  -0.660   0.028   5.480
  211    HD2  PHE  31           2HD      PHE  31   2.169  -0.491   2.332
  212    HE1  PHE  31           1HE      PHE  31   0.634  -1.520   6.884
  213    HE2  PHE  31           2HE      PHE  31   3.452  -2.026   3.738
  214    HZ   PHE  31           HZ       PHE  31   2.687  -2.557   6.005
  215    H    SER  32           H        SER  32  -3.019   1.283   3.544
  216    HA   SER  32           HA       SER  32  -3.557  -0.885   5.251
  217    HB2  SER  32           2HB      SER  32  -3.952   1.473   5.844
  218    HB3  SER  32           3HB      SER  32  -5.259   1.547   4.650
  219    HG   SER  32           HG       SER  32  -5.591  -0.542   6.374
  220    H    ALA  33           H        ALA  33  -5.459   0.395   2.496
  221    HA   ALA  33           HA       ALA  33  -7.571  -1.473   2.853
  222    HB1  ALA  33           1HB      ALA  33  -6.876   0.128   0.397
  223    HB2  ALA  33           2HB      ALA  33  -8.422  -0.649   0.739
  224    HB3  ALA  33           3HB      ALA  33  -7.870   0.697   1.737
  225    H    GLN  34           H        GLN  34  -4.763  -1.359   0.684
  226    HA   GLN  34           HA       GLN  34  -5.540  -3.543  -0.913
  227    HB2  GLN  34           2HB      GLN  34  -3.799  -1.968  -1.610
  228    HB3  GLN  34           3HB      GLN  34  -2.759  -2.523  -0.292
  229    HG2  GLN  34           2HG      GLN  34  -1.991  -3.559  -2.284
  230    HG3  GLN  34           3HG      GLN  34  -2.797  -4.795  -1.305
  231   HE21  GLN  34          1HE2      GLN  34  -2.297  -4.786  -4.146
  232   HE22  GLN  34          2HE2      GLN  34  -3.841  -4.947  -4.903
  233    H    GLN  35           H        GLN  35  -3.618  -3.325   2.044
  234    HA   GLN  35           HA       GLN  35  -3.036  -6.115   1.962
  235    HB2  GLN  35           2HB      GLN  35  -2.502  -3.911   3.908
  236    HB3  GLN  35           3HB      GLN  35  -2.100  -5.595   4.264
  237    HG2  GLN  35           2HG      GLN  35  -0.622  -5.769   2.458
  238    HG3  GLN  35           3HG      GLN  35  -1.243  -4.286   1.719
  239   HE21  GLN  35          1HE2      GLN  35   0.828  -3.513   1.551
  240   HE22  GLN  35          2HE2      GLN  35   1.652  -2.889   2.935
  241    H    GLU  36           H        GLU  36  -5.412  -4.131   3.673
  242    HA   GLU  36           HA       GLU  36  -6.184  -6.133   5.482
  243    HB2  GLU  36           2HB      GLU  36  -8.212  -4.896   5.861
  244    HB3  GLU  36           3HB      GLU  36  -6.846  -3.779   5.735
  245    HG2  GLU  36           2HG      GLU  36  -7.497  -3.267   3.416
  246    HG3  GLU  36           3HG      GLU  36  -8.899  -4.327   3.608
  247    HE2  GLU  36           HE       GLU  36 -10.689  -1.805   5.072
  248    H    GLN  37           H        GLN  37  -7.022  -5.634   2.077
  249    HA   GLN  37           HA       GLN  37  -8.805  -7.967   2.301
  250    HB2  GLN  37           2HB      GLN  37  -9.369  -7.517  -0.076
  251    HB3  GLN  37           3HB      GLN  37  -9.745  -6.178   1.014
  252    HG2  GLN  37           2HG      GLN  37  -7.492  -5.201   0.349
  253    HG3  GLN  37           3HG      GLN  37  -7.492  -6.406  -0.947
  254   HE21  GLN  37          1HE2      GLN  37  -7.519  -3.539  -1.108
  255   HE22  GLN  37          2HE2      GLN  37  -8.930  -3.102  -1.993
  256    H    CYS  38           H        CYS  38  -5.718  -7.053   0.819
  257    HA   CYS  38           HA       CYS  38  -5.742  -9.548  -0.700
  258    HB2  CYS  38           2HB      CYS  38  -3.683  -7.357  -0.860
  259    HB3  CYS  38           3HB      CYS  38  -3.990  -8.645  -2.038
  260    H    ASP  39           H        ASP  39  -2.994  -7.818   0.792
  261    HA   ASP  39           HA       ASP  39  -2.179 -10.414   1.929
  262    HB2  ASP  39           2HB      ASP  39  -0.869  -9.533  -0.152
  263    HB3  ASP  39           3HB      ASP  39  -0.141  -8.406   1.014
  264    HD2  ASP  39           HD       ASP  39   1.281 -11.203   2.774
  265    HA   PRO  40           HA       PRO  40  -2.404  -7.463   5.417
  266    HB2  PRO  40           2HB      PRO  40  -2.870  -9.946   6.956
  267    HB3  PRO  40           3HB      PRO  40  -3.860  -8.495   6.824
  268    HG2  PRO  40           2HG      PRO  40  -4.540 -10.849   5.697
  269    HG3  PRO  40           3HG      PRO  40  -4.970  -9.262   4.954
  270    HD2  PRO  40           2HD      PRO  40  -2.779 -11.197   4.243
  271    HD3  PRO  40           3HD      PRO  40  -3.849 -10.261   3.184
  272    H    ASN  41           H        ASN  41  -0.303  -9.976   4.574
  273    HA   ASN  41           HA       ASN  41   0.913 -10.346   7.159
  274    HB2  ASN  41           2HB      ASN  41   1.925 -11.363   4.498
  275    HB3  ASN  41           3HB      ASN  41   2.294 -11.996   6.108
  276   HD21  ASN  41          1HD2      ASN  41   0.036 -11.918   3.521
  277   HD22  ASN  41          2HD2      ASN  41  -1.042 -13.127   4.144
  278    H    ILE  42           H        ILE  42   1.518  -8.238   4.468
  279    HA   ILE  42           HA       ILE  42   4.340  -8.038   5.117
  280    HB   ILE  42           HB       ILE  42   4.652  -6.623   3.276
  281   HG12  ILE  42          2HG1      ILE  42   1.659  -6.268   3.134
  282   HG13  ILE  42          3HG1      ILE  42   2.833  -5.045   3.648
  283   HG21  ILE  42          1HG2      ILE  42   4.230  -8.894   2.612
  284   HG22  ILE  42          2HG2      ILE  42   2.496  -8.578   2.551
  285   HG23  ILE  42          3HG2      ILE  42   3.576  -7.775   1.413
  286   HD11  ILE  42          3HD1      ILE  42   2.605  -6.248   0.898
  287   HD12  ILE  42          1HD1      ILE  42   2.179  -4.604   1.380
  288   HD13  ILE  42          2HD1      ILE  42   3.865  -5.123   1.413
  289    H    THR  43           H        THR  43   5.355  -5.965   5.446
  290    HA   THR  43           HA       THR  43   3.724  -4.132   7.085
  291    HB   THR  43           HB       THR  43   6.631  -4.559   7.663
  292    HG1  THR  43           1HG      THR  43   4.497  -6.279   8.505
  293   HG21  THR  43          3HG2      THR  43   5.816  -4.164   9.996
  294   HG22  THR  43          1HG2      THR  43   4.202  -3.910   9.336
  295   HG23  THR  43          2HG2      THR  43   5.519  -2.818   8.899
  296    H    ILE  44           H        ILE  44   4.938  -1.914   7.247
  297    HA   ILE  44           HA       ILE  44   5.561  -1.020   4.634
  298    HB   ILE  44           HB       ILE  44   6.187   0.326   7.275
  299   HG12  ILE  44          2HG1      ILE  44   3.848   0.664   5.379
  300   HG13  ILE  44          3HG1      ILE  44   3.786  -0.108   6.972
  301   HG21  ILE  44          1HG2      ILE  44   6.106   1.444   4.475
  302   HG22  ILE  44          2HG2      ILE  44   6.297   2.397   5.947
  303   HG23  ILE  44          3HG2      ILE  44   7.540   1.234   5.481
  304   HD11  ILE  44          3HD1      ILE  44   2.902   2.165   7.031
  305   HD12  ILE  44          1HD1      ILE  44   4.330   1.991   8.051
  306   HD13  ILE  44          2HD1      ILE  44   4.458   2.783   6.478
  307    H    ALA  45           H        ALA  45   7.343  -1.394   3.548
  308    HA   ALA  45           HA       ALA  45   9.657  -2.570   4.770
  309    HB1  ALA  45           1HB      ALA  45   8.922  -3.227   2.527
  310    HB2  ALA  45           2HB      ALA  45   9.242  -1.595   1.942
  311    HB3  ALA  45           3HB      ALA  45  10.572  -2.606   2.500
  312    H    HIS  46           H        HIS  46   8.901   0.512   3.230
  313    HA   HIS  46           HA       HIS  46  10.605   1.943   4.969
  314    HB2  HIS  46           2HB      HIS  46  12.266   2.781   3.463
  315    HB3  HIS  46           3HB      HIS  46  12.310   1.017   3.371
  316    HD1  HIS  46           1HD      HIS  46  11.335   4.038   1.363
  317    HD2  HIS  46           2HD      HIS  46  11.708  -0.077   0.890
  318    HE1  HIS  46           1HE      HIS  46  11.095   3.612  -1.103
  319    HE2  HIS  46           2HE      HIS  46  11.593   1.158  -1.382
  320    H    MET  47           H        MET  47  10.289   4.181   4.817
  321    HA   MET  47           HA       MET  47   7.841   4.986   3.563
  322    HB2  MET  47           2HB      MET  47   8.949   5.875   5.747
  323    HB3  MET  47           3HB      MET  47   9.917   6.878   4.658
  324    HG2  MET  47           2HG      MET  47   6.901   6.879   4.650
  325    HG3  MET  47           3HG      MET  47   7.873   7.961   5.650
  326    HE1  MET  47           3HE      MET  47   6.404  10.203   2.732
  327    HE2  MET  47           1HE      MET  47   5.633   8.771   3.416
  328    HE3  MET  47           2HE      MET  47   6.428   9.936   4.475
  329    H    GLY  48           H        GLY  48   7.601   6.272   1.739
  330    HA2  GLY  48           2HA      GLY  48   8.538   7.455  -0.158
  331    HA3  GLY  48           3HA      GLY  48  10.024   6.516   0.069
  332    H    GLU  49           H        GLU  49   8.228   6.770  -2.295
  333    HA   GLU  49           HA       GLU  49   6.752   4.316  -2.448
  334    HB2  GLU  49           2HB      GLU  49   6.359   4.918  -4.798
  335    HB3  GLU  49           3HB      GLU  49   5.977   6.250  -3.700
  336    HG2  GLU  49           2HG      GLU  49   8.655   6.097  -5.044
  337    HG3  GLU  49           3HG      GLU  49   7.243   6.742  -5.893
  338    HE2  GLU  49           HE       GLU  49   7.413   9.725  -4.200
  339    H    CYS  50           H        CYS  50   7.254   2.457  -3.551
  340    HA   CYS  50           HA       CYS  50  10.025   2.001  -4.161
  341    HB2  CYS  50           1HB      CYS  50   7.610   0.339  -3.827
  342    HB3  CYS  50           2HB      CYS  50   8.830  -0.286  -4.945
  Start of MODEL    5
    1    H1   ALA   1           1H       ALA   1 -13.033  -7.980  -2.864
    2    H2   ALA   1           2H       ALA   1 -12.119  -7.617  -1.483
    3    H3   ALA   1           3H       ALA   1 -13.033  -9.039  -1.538
    4    HA   ALA   1           HA       ALA   1 -11.663  -9.871  -3.345
    5    HB1  ALA   1           2HB      ALA   1  -9.621  -8.714  -3.952
    6    HB2  ALA   1           3HB      ALA   1 -11.008  -7.663  -4.232
    7    HB3  ALA   1           1HB      ALA   1  -9.984  -7.416  -2.815
    8    H    GLU   2           H        GLU   2 -10.555 -11.525  -2.508
    9    HA   GLU   2           HA       GLU   2  -9.349 -11.179   0.157
   10    HB2  GLU   2           2HB      GLU   2 -10.076 -13.717  -1.335
   11    HB3  GLU   2           3HB      GLU   2  -9.447 -13.631   0.317
   12    HG2  GLU   2           2HG      GLU   2 -12.084 -12.495  -0.616
   13    HG3  GLU   2           3HG      GLU   2 -11.863 -14.013   0.265
   14    HE2  GLU   2           HE       GLU   2 -12.042 -10.703   2.311
   15    H    ASP   3           H        ASP   3  -8.717 -12.303  -3.111
   16    HA   ASP   3           HA       ASP   3  -5.844 -12.142  -2.494
   17    HB2  ASP   3           2HB      ASP   3  -6.573 -14.489  -2.901
   18    HB3  ASP   3           3HB      ASP   3  -7.154 -13.999  -4.498
   19    HD2  ASP   3           HD       ASP   3  -3.322 -14.688  -4.026
   20    H    CYS   4           H        CYS   4  -5.073 -10.380  -3.420
   21    HA   CYS   4           HA       CYS   4  -5.595  -9.858  -6.217
   22    HB2  CYS   4           2HB      CYS   4  -5.938  -7.340  -5.329
   23    HB3  CYS   4           3HB      CYS   4  -7.280  -8.453  -5.650
   24    H    VAL   5           H        VAL   5  -3.602  -9.580  -7.040
   25    HA   VAL   5           HA       VAL   5  -1.590  -8.276  -5.349
   26    HB   VAL   5           HB       VAL   5  -1.228 -10.096  -7.739
   27   HG11  VAL   5          1HG1      VAL   5   0.817  -8.720  -6.013
   28   HG12  VAL   5          2HG1      VAL   5   1.171  -9.961  -7.216
   29   HG13  VAL   5          3HG1      VAL   5   0.494  -8.413  -7.718
   30   HG21  VAL   5          3HG2      VAL   5  -1.901 -11.291  -5.736
   31   HG22  VAL   5          1HG2      VAL   5  -0.206 -11.621  -6.103
   32   HG23  VAL   5          2HG2      VAL   5  -0.626 -10.495  -4.811
   33    H    GLY   6           H        GLY   6  -1.007  -6.304  -5.831
   34    HA2  GLY   6           2HA      GLY   6  -0.102  -5.134  -8.008
   35    HA3  GLY   6           3HA      GLY   6  -1.832  -5.147  -8.375
   36    H    ARG   7           H        ARG   7  -2.335  -3.041  -8.217
   37    HA   ARG   7           HA       ARG   7  -1.899  -1.805  -5.587
   38    HB2  ARG   7           2HB      ARG   7  -0.326  -0.744  -6.993
   39    HB3  ARG   7           3HB      ARG   7  -1.481  -0.635  -8.330
   40    HG2  ARG   7           2HG      ARG   7  -2.753   1.059  -7.165
   41    HG3  ARG   7           3HG      ARG   7  -1.698   0.899  -5.750
   42    HD2  ARG   7           2HD      ARG   7  -1.248   2.848  -7.380
   43    HD3  ARG   7           3HD      ARG   7   0.123   1.872  -6.835
   44    HE   ARG   7           HE       ARG   7  -0.843   0.741  -9.202
   45   HH11  ARG   7          2HH1      ARG   7   0.629   3.760  -8.199
   46   HH12  ARG   7          1HH1      ARG   7   1.523   3.952  -9.678
   47   HH21  ARG   7          2HH2      ARG   7   0.329   0.991 -11.137
   48   HH22  ARG   7          1HH2      ARG   7   1.354   2.386 -11.353
   49    H    LYS   8           H        LYS   8  -3.666  -1.006  -4.667
   50    HA   LYS   8           HA       LYS   8  -6.110  -0.703  -6.250
   51    HB2  LYS   8           2HB      LYS   8  -5.500  -1.269  -3.423
   52    HB3  LYS   8           3HB      LYS   8  -6.783  -0.068  -3.656
   53    HG2  LYS   8           2HG      LYS   8  -6.749  -2.854  -4.816
   54    HG3  LYS   8           3HG      LYS   8  -7.706  -2.301  -3.429
   55    HD2  LYS   8           2HD      LYS   8  -8.765  -0.594  -4.936
   56    HD3  LYS   8           3HD      LYS   8  -7.936  -1.381  -6.288
   57    HE2  LYS   8           2HE      LYS   8  -9.089  -3.495  -5.768
   58    HE3  LYS   8           3HE      LYS   8  -9.920  -2.689  -4.429
   59    HZ1  LYS   8           3HZ      LYS   8 -10.229  -2.180  -7.332
   60    HZ2  LYS   8           1HZ      LYS   8 -10.789  -1.087  -6.159
   61    HZ3  LYS   8           2HZ      LYS   8 -11.418  -2.658  -6.215
   62    H    ALA   9           H        ALA   9  -6.930   1.299  -6.704
   63    HA   ALA   9           HA       ALA   9  -5.078   3.450  -6.342
   64    HB1  ALA   9           1HB      ALA   9  -6.637   4.745  -7.710
   65    HB2  ALA   9           2HB      ALA   9  -6.292   3.176  -8.436
   66    HB3  ALA   9           3HB      ALA   9  -7.820   3.443  -7.600
   67    H    CYS  10           H        CYS  10  -4.948   4.478  -4.511
   68    HA   CYS  10           HA       CYS  10  -7.339   5.895  -3.625
   69    HB2  CYS  10           2HB      CYS  10  -6.909   4.017  -2.026
   70    HB3  CYS  10           3HB      CYS  10  -5.301   4.695  -1.718
   71    H    THR  11           H        THR  11  -6.790   8.037  -2.872
   72    HA   THR  11           HA       THR  11  -4.121   8.997  -2.964
   73    HB   THR  11           HB       THR  11  -4.967  10.465  -5.137
   74    HG1  THR  11           1HG      THR  11  -6.585   9.196  -5.853
   75   HG21  THR  11          3HG2      THR  11  -3.256   7.977  -5.142
   76   HG22  THR  11          1HG2      THR  11  -2.710   9.616  -4.781
   77   HG23  THR  11          2HG2      THR  11  -3.278   9.212  -6.403
   78    H    ARG  12           H        ARG  12  -5.833   9.405  -1.069
   79    HA   ARG  12           HA       ARG  12  -7.257  11.880  -1.398
   80    HB2  ARG  12           2HB      ARG  12  -7.725  11.708   0.979
   81    HB3  ARG  12           3HB      ARG  12  -7.998  10.138   0.206
   82    HG2  ARG  12           2HG      ARG  12  -5.814   9.357   0.989
   83    HG3  ARG  12           3HG      ARG  12  -5.558  10.923   1.779
   84    HD2  ARG  12           2HD      ARG  12  -7.666  10.502   3.093
   85    HD3  ARG  12           3HD      ARG  12  -7.658   8.866   2.422
   86    HE   ARG  12           HE       ARG  12  -5.151   9.264   3.512
   87   HH11  ARG  12          2HH1      ARG  12  -8.465   9.110   4.633
   88   HH12  ARG  12          1HH1      ARG  12  -8.031   8.665   6.256
   89   HH21  ARG  12          2HH2      ARG  12  -4.579   8.703   5.656
   90   HH22  ARG  12          1HH2      ARG  12  -5.826   8.449   6.838
   91    H    GLU  13           H        GLU  13  -4.128  10.820  -0.628
   92    HA   GLU  13           HA       GLU  13  -3.024  13.443  -0.475
   93    HB2  GLU  13           2HB      GLU  13  -3.896  13.184   1.836
   94    HB3  GLU  13           3HB      GLU  13  -2.970  11.683   1.998
   95    HG2  GLU  13           2HG      GLU  13  -1.866  13.524   3.132
   96    HG3  GLU  13           3HG      GLU  13  -0.891  12.914   1.787
   97    HE2  GLU  13           HE       GLU  13  -1.145  15.892   0.051
   98    H    TRP  14           H        TRP  14  -0.622  13.279  -0.472
   99    HA   TRP  14           HA       TRP  14   0.217  10.563  -1.250
  100    HB2  TRP  14           2HB      TRP  14   0.347  12.246  -3.073
  101    HB3  TRP  14           3HB      TRP  14   1.471  13.187  -2.091
  102    HD1  TRP  14           1HD      TRP  14   3.998  12.492  -2.106
  103    HE1  TRP  14           1HE      TRP  14   5.349  10.687  -3.341
  104    HE3  TRP  14           3HE      TRP  14   0.129   9.717  -3.983
  105    HZ2  TRP  14           2HZ      TRP  14   4.850   8.394  -4.895
  106    HZ3  TRP  14           3HZ      TRP  14   0.658   7.729  -5.333
  107    HH2  TRP  14           2HH      TRP  14   2.971   7.084  -5.778
  108    H    TYR  15           H        TYR  15   0.790   9.850   0.759
  109    HA   TYR  15           HA       TYR  15   3.403  10.872   1.601
  110    HB2  TYR  15           2HB      TYR  15   1.389   9.375   3.327
  111    HB3  TYR  15           3HB      TYR  15   3.012   9.861   3.827
  112    HD1  TYR  15           2HD      TYR  15   3.303  12.601   3.076
  113    HD2  TYR  15           1HD      TYR  15  -0.180  10.610   4.493
  114    HE1  TYR  15           2HE      TYR  15   2.426  14.743   3.913
  115    HE2  TYR  15           1HE      TYR  15  -1.065  12.744   5.337
  116    HH   TYR  15           HH       TYR  15   0.246  15.756   4.464
  117    HA   PRO  16           HA       PRO  16   3.648   6.984  -0.507
  118    HB2  PRO  16           2HB      PRO  16   6.133   7.218  -1.518
  119    HB3  PRO  16           3HB      PRO  16   4.771   8.171  -2.107
  120    HG2  PRO  16           2HG      PRO  16   6.958   8.938  -0.214
  121    HG3  PRO  16           3HG      PRO  16   6.219   9.887  -1.557
  122    HD2  PRO  16           2HD      PRO  16   5.596  10.162   1.141
  123    HD3  PRO  16           3HD      PRO  16   4.552  10.648  -0.204
  124    H    VAL  17           H        VAL  17   4.183   5.006   0.083
  125    HA   VAL  17           HA       VAL  17   6.550   4.535   1.731
  126    HB   VAL  17           HB       VAL  17   5.341   3.028   3.249
  127   HG11  VAL  17          1HG1      VAL  17   5.708   5.309   3.991
  128   HG12  VAL  17          2HG1      VAL  17   4.197   5.816   3.232
  129   HG13  VAL  17          3HG1      VAL  17   4.166   4.702   4.597
  130   HG21  VAL  17          3HG2      VAL  17   2.855   4.046   1.883
  131   HG22  VAL  17          1HG2      VAL  17   3.485   2.398   1.837
  132   HG23  VAL  17          2HG2      VAL  17   2.883   3.069   3.353
  133    H    CYS  18           H        CYS  18   6.767   2.033   1.990
  134    HA   CYS  18           HA       CYS  18   5.959   0.765  -0.537
  135    HB2  CYS  18           2HB      CYS  18   8.317   1.455  -0.591
  136    HB3  CYS  18           3HB      CYS  18   8.626   0.487   0.860
  137    H    GLY  19           H        GLY  19   5.214  -1.285  -0.402
  138    HA2  GLY  19           2HA      GLY  19   4.951  -2.446   2.287
  139    HA3  GLY  19           3HA      GLY  19   4.132  -2.998   0.819
  140    H    SER  20           H        SER  20   5.574  -4.630   2.728
  141    HA   SER  20           HA       SER  20   8.216  -5.171   2.102
  142    HB2  SER  20           2HB      SER  20   6.180  -7.200   3.057
  143    HB3  SER  20           3HB      SER  20   7.938  -7.271   3.274
  144    HG   SER  20           HG       SER  20   7.754  -6.037   4.955
  145    H    ASP  21           H        ASP  21   5.465  -5.948   0.216
  146    HA   ASP  21           HA       ASP  21   6.624  -8.128  -1.233
  147    HB2  ASP  21           2HB      ASP  21   4.178  -7.722  -1.124
  148    HB3  ASP  21           3HB      ASP  21   4.406  -6.224  -2.037
  149    HD2  ASP  21           HD       ASP  21   4.494  -7.898  -5.032
  150    H    GLY  22           H        GLY  22   7.384  -4.926  -1.026
  151    HA2  GLY  22           2HA      GLY  22   9.000  -3.715  -2.191
  152    HA3  GLY  22           3HA      GLY  22   8.954  -4.936  -3.471
  153    H    VAL  23           H        VAL  23   6.104  -3.449  -2.127
  154    HA   VAL  23           HA       VAL  23   5.511  -2.473  -4.839
  155    HB   VAL  23           HB       VAL  23   3.999  -4.194  -4.173
  156   HG11  VAL  23          1HG1      VAL  23   3.478  -2.584  -1.684
  157   HG12  VAL  23          2HG1      VAL  23   2.611  -4.046  -2.156
  158   HG13  VAL  23          3HG1      VAL  23   4.333  -4.124  -1.781
  159   HG21  VAL  23          3HG2      VAL  23   2.986  -2.350  -5.403
  160   HG22  VAL  23          1HG2      VAL  23   1.834  -3.047  -4.261
  161   HG23  VAL  23          2HG2      VAL  23   2.635  -1.518  -3.889
  162    H    THR  24           H        THR  24   4.805  -0.418  -5.192
  163    HA   THR  24           HA       THR  24   5.422   1.526  -3.149
  164    HB   THR  24           HB       THR  24   4.381   1.960  -5.958
  165    HG1  THR  24           1HG      THR  24   6.480   2.042  -6.582
  166   HG21  THR  24          3HG2      THR  24   5.787   3.833  -4.052
  167   HG22  THR  24          1HG2      THR  24   4.080   3.895  -4.489
  168   HG23  THR  24          2HG2      THR  24   5.314   4.209  -5.709
  169    H    TYR  25           H        TYR  25   3.977   2.299  -1.775
  170    HA   TYR  25           HA       TYR  25   1.157   2.242  -2.546
  171    HB2  TYR  25           2HB      TYR  25   2.570   2.055   0.099
  172    HB3  TYR  25           3HB      TYR  25   0.873   2.485  -0.004
  173    HD1  TYR  25           2HD      TYR  25  -0.401   0.887  -1.857
  174    HD2  TYR  25           1HD      TYR  25   2.896  -0.191   0.597
  175    HE1  TYR  25           2HE      TYR  25  -1.023  -1.472  -2.086
  176    HE2  TYR  25           1HE      TYR  25   2.289  -2.563   0.366
  177    HH   TYR  25           HH       TYR  25  -0.199  -3.797  -0.216
  178    H    SER  26           H        SER  26  -0.007   3.998  -2.591
  179    HA   SER  26           HA       SER  26   1.283   6.462  -3.025
  180    HB2  SER  26           2HB      SER  26  -1.660   5.802  -2.715
  181    HB3  SER  26           3HB      SER  26  -1.014   7.298  -3.407
  182    HG   SER  26           HG       SER  26   0.137   5.190  -4.604
  183    H    ASN  27           H        ASN  27  -0.504   5.202  -0.278
  184    HA   ASN  27           HA       ASN  27   0.649   6.902   1.592
  185    HB2  ASN  27           2HB      ASN  27  -1.002   8.523   2.118
  186    HB3  ASN  27           3HB      ASN  27  -0.849   8.586   0.356
  187   HD21  ASN  27          1HD2      ASN  27  -2.573   8.030  -0.920
  188   HD22  ASN  27          2HD2      ASN  27  -4.132   7.631  -0.288
  189    HA   PRO  28           HA       PRO  28  -0.966   4.175   4.653
  190    HB2  PRO  28           2HB      PRO  28  -3.081   6.143   5.521
  191    HB3  PRO  28           3HB      PRO  28  -1.985   5.158   6.489
  192    HG2  PRO  28           2HG      PRO  28  -1.506   7.736   6.035
  193    HG3  PRO  28           3HG      PRO  28  -0.163   6.534   6.074
  194    HD2  PRO  28           2HD      PRO  28  -1.389   7.977   3.772
  195    HD3  PRO  28           3HD      PRO  28   0.257   7.360   3.981
  196    H    CYS  29           H        CYS  29  -3.773   5.823   3.085
  197    HA   CYS  29           HA       CYS  29  -5.613   3.774   3.660
  198    HB2  CYS  29           2HB      CYS  29  -7.037   4.712   1.917
  199    HB3  CYS  29           3HB      CYS  29  -6.349   5.996   2.927
  200    H    ASN  30           H        ASN  30  -3.357   4.186   1.020
  201    HA   ASN  30           HA       ASN  30  -4.392   2.161  -0.648
  202    HB2  ASN  30           2HB      ASN  30  -3.005   4.019  -1.462
  203    HB3  ASN  30           3HB      ASN  30  -1.634   3.403  -0.532
  204   HD21  ASN  30          1HD2      ASN  30  -3.685   1.093  -2.112
  205   HD22  ASN  30          2HD2      ASN  30  -2.598   0.735  -3.397
  206    H    PHE  31           H        PHE  31  -1.695   2.246   1.669
  207    HA   PHE  31           HA       PHE  31  -0.974  -0.472   1.412
  208    HB2  PHE  31           1HB      PHE  31   0.562   1.146   2.391
  209    HB3  PHE  31           2HB      PHE  31  -0.576   1.485   3.695
  210    HD1  PHE  31           1HD      PHE  31   1.893  -0.933   2.425
  211    HD2  PHE  31           2HD      PHE  31  -0.854  -0.029   5.559
  212    HE1  PHE  31           1HE      PHE  31   2.945  -2.635   3.842
  213    HE2  PHE  31           2HE      PHE  31   0.193  -1.749   6.968
  214    HZ   PHE  31           HZ       PHE  31   2.095  -3.058   6.105
  215    H    SER  32           H        SER  32  -3.123   1.250   3.659
  216    HA   SER  32           HA       SER  32  -3.670  -0.957   5.316
  217    HB2  SER  32           2HB      SER  32  -4.074   1.366   5.999
  218    HB3  SER  32           3HB      SER  32  -5.355   1.503   4.784
  219    HG   SER  32           HG       SER  32  -6.612   0.831   6.317
  220    H    ALA  33           H        ALA  33  -5.536   0.411   2.591
  221    HA   ALA  33           HA       ALA  33  -7.666  -1.443   2.848
  222    HB1  ALA  33           1HB      ALA  33  -6.877   0.209   0.458
  223    HB2  ALA  33           2HB      ALA  33  -8.429  -0.592   0.701
  224    HB3  ALA  33           3HB      ALA  33  -7.945   0.729   1.763
  225    H    GLN  34           H        GLN  34  -4.830  -1.307   0.733
  226    HA   GLN  34           HA       GLN  34  -5.550  -3.571  -0.799
  227    HB2  GLN  34           2HB      GLN  34  -3.932  -1.905  -1.585
  228    HB3  GLN  34           3HB      GLN  34  -2.814  -2.370  -0.298
  229    HG2  GLN  34           2HG      GLN  34  -2.033  -3.437  -2.252
  230    HG3  GLN  34           3HG      GLN  34  -2.830  -4.695  -1.296
  231   HE21  GLN  34          1HE2      GLN  34  -2.362  -4.889  -4.067
  232   HE22  GLN  34          2HE2      GLN  34  -3.893  -4.938  -4.856
  233    H    GLN  35           H        GLN  35  -3.784  -3.167   2.203
  234    HA   GLN  35           HA       GLN  35  -2.829  -5.862   2.253
  235    HB2  GLN  35           2HB      GLN  35  -2.654  -3.465   3.966
  236    HB3  GLN  35           3HB      GLN  35  -2.539  -5.015   4.805
  237    HG2  GLN  35           2HG      GLN  35  -0.350  -4.063   4.216
  238    HG3  GLN  35           3HG      GLN  35  -0.630  -5.654   3.507
  239   HE21  GLN  35          1HE2      GLN  35   1.169  -3.512   2.831
  240   HE22  GLN  35          2HE2      GLN  35   0.917  -3.200   1.154
  241    H    GLU  36           H        GLU  36  -5.574  -4.134   3.654
  242    HA   GLU  36           HA       GLU  36  -6.308  -6.284   5.375
  243    HB2  GLU  36           2HB      GLU  36  -8.398  -5.117   5.745
  244    HB3  GLU  36           3HB      GLU  36  -7.045  -3.980   5.819
  245    HG2  GLU  36           2HG      GLU  36  -7.552  -3.080   3.686
  246    HG3  GLU  36           3HG      GLU  36  -8.726  -4.362   3.366
  247    HE2  GLU  36           HE       GLU  36  -9.844  -1.515   5.902
  248    H    GLN  37           H        GLN  37  -6.965  -5.535   2.014
  249    HA   GLN  37           HA       GLN  37  -8.932  -7.707   1.987
  250    HB2  GLN  37           2HB      GLN  37  -9.501  -6.989  -0.278
  251    HB3  GLN  37           3HB      GLN  37  -9.648  -5.671   0.890
  252    HG2  GLN  37           2HG      GLN  37  -7.333  -4.934   0.145
  253    HG3  GLN  37           3HG      GLN  37  -7.527  -6.081  -1.190
  254   HE21  GLN  37          1HE2      GLN  37  -8.612  -3.108   0.205
  255   HE22  GLN  37          2HE2      GLN  37  -9.542  -2.562  -1.152
  256    H    CYS  38           H        CYS  38  -5.724  -6.934   0.748
  257    HA   CYS  38           HA       CYS  38  -5.851  -9.406  -0.826
  258    HB2  CYS  38           2HB      CYS  38  -3.781  -7.233  -1.044
  259    HB3  CYS  38           3HB      CYS  38  -4.084  -8.567  -2.175
  260    H    ASP  39           H        ASP  39  -3.065  -7.704   0.652
  261    HA   ASP  39           HA       ASP  39  -2.256 -10.344   1.705
  262    HB2  ASP  39           2HB      ASP  39  -0.877  -9.423  -0.227
  263    HB3  ASP  39           3HB      ASP  39  -0.335  -8.164   0.892
  264    HD2  ASP  39           HD       ASP  39   1.497 -11.553   1.024
  265    HA   PRO  40           HA       PRO  40  -2.615  -7.847   5.463
  266    HB2  PRO  40           2HB      PRO  40  -2.767 -10.467   6.798
  267    HB3  PRO  40           3HB      PRO  40  -3.962  -9.173   6.717
  268    HG2  PRO  40           2HG      PRO  40  -4.218 -11.559   5.439
  269    HG3  PRO  40           3HG      PRO  40  -4.951 -10.029   4.829
  270    HD2  PRO  40           2HD      PRO  40  -2.471 -11.472   3.937
  271    HD3  PRO  40           3HD      PRO  40  -3.706 -10.642   2.974
  272    H    ASN  41           H        ASN  41  -0.272 -10.056   4.368
  273    HA   ASN  41           HA       ASN  41   0.944 -10.481   6.964
  274    HB2  ASN  41           2HB      ASN  41   1.587 -11.573   4.225
  275    HB3  ASN  41           3HB      ASN  41   2.483 -11.991   5.692
  276   HD21  ASN  41          1HD2      ASN  41   1.516 -13.250   7.272
  277   HD22  ASN  41          2HD2      ASN  41   0.069 -14.154   6.973
  278    H    ILE  42           H        ILE  42   1.498  -8.396   4.246
  279    HA   ILE  42           HA       ILE  42   4.305  -8.102   4.920
  280    HB   ILE  42           HB       ILE  42   4.533  -6.556   3.133
  281   HG12  ILE  42          2HG1      ILE  42   1.531  -6.615   2.819
  282   HG13  ILE  42          3HG1      ILE  42   2.447  -5.286   3.550
  283   HG21  ILE  42          1HG2      ILE  42   4.419  -8.878   2.475
  284   HG22  ILE  42          2HG2      ILE  42   2.667  -8.758   2.303
  285   HG23  ILE  42          3HG2      ILE  42   3.722  -7.838   1.230
  286   HD11  ILE  42          3HD1      ILE  42   1.901  -4.756   1.268
  287   HD12  ILE  42          1HD1      ILE  42   3.648  -4.953   1.447
  288   HD13  ILE  42          2HD1      ILE  42   2.686  -6.236   0.707
  289    H    THR  43           H        THR  43   5.208  -5.917   5.164
  290    HA   THR  43           HA       THR  43   3.504  -4.140   6.761
  291    HB   THR  43           HB       THR  43   5.708  -3.764   8.126
  292    HG1  THR  43           1HG      THR  43   6.078  -6.509   7.486
  293   HG21  THR  43          3HG2      THR  43   5.024  -5.499   9.733
  294   HG22  THR  43          1HG2      THR  43   3.997  -6.225   8.498
  295   HG23  THR  43          2HG2      THR  43   3.641  -4.606   9.100
  296    H    ILE  44           H        ILE  44   4.703  -1.946   7.056
  297    HA   ILE  44           HA       ILE  44   5.486  -0.991   4.500
  298    HB   ILE  44           HB       ILE  44   5.941   0.302   7.200
  299   HG12  ILE  44          2HG1      ILE  44   3.682   0.637   5.207
  300   HG13  ILE  44          3HG1      ILE  44   3.566  -0.184   6.773
  301   HG21  ILE  44          1HG2      ILE  44   7.354   1.259   5.460
  302   HG22  ILE  44          2HG2      ILE  44   5.946   1.491   4.424
  303   HG23  ILE  44          3HG2      ILE  44   6.091   2.399   5.928
  304   HD11  ILE  44          3HD1      ILE  44   2.620   2.060   6.875
  305   HD12  ILE  44          1HD1      ILE  44   4.022   1.903   7.931
  306   HD13  ILE  44          2HD1      ILE  44   4.173   2.739   6.385
  307    H    ALA  45           H        ALA  45   7.343  -1.325   3.531
  308    HA   ALA  45           HA       ALA  45   9.558  -2.518   4.926
  309    HB1  ALA  45           1HB      ALA  45   8.965  -3.247   2.672
  310    HB2  ALA  45           2HB      ALA  45   9.327  -1.637   2.050
  311    HB3  ALA  45           3HB      ALA  45  10.617  -2.631   2.723
  312    H    HIS  46           H        HIS  46   8.925   0.545   3.295
  313    HA   HIS  46           HA       HIS  46  10.649   1.954   5.052
  314    HB2  HIS  46           2HB      HIS  46  12.330   2.729   3.555
  315    HB3  HIS  46           3HB      HIS  46  12.300   0.970   3.410
  316    HD1  HIS  46           1HD      HIS  46  11.443   4.087   1.497
  317    HD2  HIS  46           2HD      HIS  46  11.611  -0.025   0.904
  318    HE1  HIS  46           1HE      HIS  46  11.175   3.747  -0.979
  319    HE2  HIS  46           2HE      HIS  46  11.548   1.286  -1.329
  320    H    MET  47           H        MET  47  10.519   4.262   4.734
  321    HA   MET  47           HA       MET  47   8.018   5.063   3.531
  322    HB2  MET  47           2HB      MET  47   9.051   5.956   5.717
  323    HB3  MET  47           3HB      MET  47  10.124   6.900   4.672
  324    HG2  MET  47           2HG      MET  47   7.129   7.054   4.440
  325    HG3  MET  47           3HG      MET  47   8.045   8.048   5.576
  326    HE1  MET  47           3HE      MET  47   6.974  10.476   2.655
  327    HE2  MET  47           1HE      MET  47   6.079   9.071   3.234
  328    HE3  MET  47           2HE      MET  47   6.859  10.154   4.386
  329    H    GLY  48           H        GLY  48   7.781   6.297   1.695
  330    HA2  GLY  48           2HA      GLY  48   8.726   7.559  -0.151
  331    HA3  GLY  48           3HA      GLY  48  10.213   6.623   0.056
  332    H    GLU  49           H        GLU  49   8.611   6.953  -2.343
  333    HA   GLU  49           HA       GLU  49   7.018   4.665  -2.814
  334    HB2  GLU  49           2HB      GLU  49   7.170   5.269  -5.180
  335    HB3  GLU  49           3HB      GLU  49   6.837   6.686  -4.170
  336    HG2  GLU  49           2HG      GLU  49   9.213   7.315  -4.279
  337    HG3  GLU  49           3HG      GLU  49   9.505   5.932  -5.342
  338    HE2  GLU  49           HE       GLU  49   7.915   7.513  -8.033
  339    H    CYS  50           H        CYS  50   7.458   2.764  -3.988
  340    HA   CYS  50           HA       CYS  50  10.268   1.951  -3.936
  341    HB2  CYS  50           1HB      CYS  50   7.738   0.649  -3.397
  342    HB3  CYS  50           2HB      CYS  50   8.707  -0.276  -4.553
  Start of MODEL    6
    1    H1   ALA   1           1H       ALA   1 -12.059  -8.595  -1.023
    2    H2   ALA   1           2H       ALA   1 -12.915  -9.987  -1.469
    3    H3   ALA   1           3H       ALA   1 -12.836  -8.664  -2.529
    4    HA   ALA   1           HA       ALA   1 -11.368 -10.489  -3.192
    5    HB1  ALA   1           2HB      ALA   1  -9.920  -7.975  -2.349
    6    HB2  ALA   1           3HB      ALA   1  -9.406  -9.114  -3.599
    7    HB3  ALA   1           1HB      ALA   1 -10.874  -8.160  -3.820
    8    H    GLU   2           H        GLU   2  -9.670 -11.851  -2.737
    9    HA   GLU   2           HA       GLU   2  -8.399 -11.573  -0.095
   10    HB2  GLU   2           2HB      GLU   2  -9.943 -13.498  -0.078
   11    HB3  GLU   2           3HB      GLU   2  -9.096 -14.176  -1.478
   12    HG2  GLU   2           2HG      GLU   2  -7.025 -14.311  -0.143
   13    HG3  GLU   2           3HG      GLU   2  -7.930 -13.716   1.258
   14    HE2  GLU   2           HE       GLU   2  -8.250 -17.503   0.276
   15    H    ASP   3           H        ASP   3  -8.151 -12.506  -3.457
   16    HA   ASP   3           HA       ASP   3  -5.218 -12.339  -3.221
   17    HB2  ASP   3           2HB      ASP   3  -5.962 -14.565  -3.957
   18    HB3  ASP   3           3HB      ASP   3  -6.872 -13.826  -5.280
   19    HD2  ASP   3           HD       ASP   3  -3.001 -14.360  -5.729
   20    H    CYS   4           H        CYS   4  -4.615 -10.400  -3.809
   21    HA   CYS   4           HA       CYS   4  -5.216  -9.502  -6.469
   22    HB2  CYS   4           2HB      CYS   4  -5.633  -7.127  -5.374
   23    HB3  CYS   4           3HB      CYS   4  -6.959  -8.268  -5.656
   24    H    VAL   5           H        VAL   5  -3.509  -8.429  -7.337
   25    HA   VAL   5           HA       VAL   5  -1.339  -7.727  -5.477
   26    HB   VAL   5           HB       VAL   5  -0.825  -9.912  -6.463
   27   HG11  VAL   5          1HG1      VAL   5  -2.054  -9.743  -8.530
   28   HG12  VAL   5          2HG1      VAL   5  -0.983  -8.455  -9.093
   29   HG13  VAL   5          3HG1      VAL   5  -0.358 -10.092  -8.875
   30   HG21  VAL   5          3HG2      VAL   5   1.399  -9.387  -7.334
   31   HG22  VAL   5          1HG2      VAL   5   0.929  -7.698  -7.521
   32   HG23  VAL   5          2HG2      VAL   5   1.015  -8.419  -5.913
   33    H    GLY   6           H        GLY   6  -0.449  -5.786  -5.824
   34    HA2  GLY   6           2HA      GLY   6   0.570  -4.467  -7.747
   35    HA3  GLY   6           3HA      GLY   6  -1.090  -4.442  -8.357
   36    H    ARG   7           H        ARG   7  -1.850  -2.473  -8.126
   37    HA   ARG   7           HA       ARG   7  -1.469  -1.144  -5.529
   38    HB2  ARG   7           2HB      ARG   7   0.114  -0.168  -7.082
   39    HB3  ARG   7           3HB      ARG   7  -1.175   0.104  -8.263
   40    HG2  ARG   7           2HG      ARG   7  -2.232   1.732  -6.811
   41    HG3  ARG   7           3HG      ARG   7  -1.020   1.413  -5.558
   42    HD2  ARG   7           2HD      ARG   7  -0.593   3.481  -6.919
   43    HD3  ARG   7           3HD      ARG   7   0.733   2.309  -6.902
   44    HE   ARG   7           HE       ARG   7  -1.063   1.963  -9.127
   45   HH11  ARG   7          2HH1      ARG   7   1.692   3.811  -7.987
   46   HH12  ARG   7          1HH1      ARG   7   2.350   4.031  -9.576
   47   HH21  ARG   7          2HH2      ARG   7  -0.195   2.249 -11.194
   48   HH22  ARG   7          1HH2      ARG   7   1.277   3.152 -11.409
   49    H    LYS   8           H        LYS   8  -3.294  -0.545  -4.641
   50    HA   LYS   8           HA       LYS   8  -5.689  -0.196  -6.284
   51    HB2  LYS   8           2HB      LYS   8  -5.146  -0.921  -3.469
   52    HB3  LYS   8           3HB      LYS   8  -6.546   0.129  -3.723
   53    HG2  LYS   8           2HG      LYS   8  -6.110  -2.497  -5.149
   54    HG3  LYS   8           3HG      LYS   8  -7.089  -2.289  -3.684
   55    HD2  LYS   8           2HD      LYS   8  -8.514  -0.664  -4.888
   56    HD3  LYS   8           3HD      LYS   8  -7.562  -0.963  -6.353
   57    HE2  LYS   8           2HE      LYS   8  -9.673  -2.246  -6.322
   58    HE3  LYS   8           3HE      LYS   8  -8.241  -3.282  -6.375
   59    HZ1  LYS   8           3HZ      LYS   8 -10.062  -3.942  -4.773
   60    HZ2  LYS   8           1HZ      LYS   8  -9.594  -2.613  -3.828
   61    HZ3  LYS   8           2HZ      LYS   8  -8.493  -3.867  -4.134
   62    H    ALA   9           H        ALA   9  -6.690   1.784  -6.498
   63    HA   ALA   9           HA       ALA   9  -4.915   3.999  -5.970
   64    HB1  ALA   9           1HB      ALA   9  -7.561   3.979  -7.406
   65    HB2  ALA   9           2HB      ALA   9  -6.374   5.283  -7.404
   66    HB3  ALA   9           3HB      ALA   9  -5.983   3.735  -8.157
   67    H    CYS  10           H        CYS  10  -4.994   5.194  -4.243
   68    HA   CYS  10           HA       CYS  10  -7.601   6.106  -3.262
   69    HB2  CYS  10           2HB      CYS  10  -6.690   4.377  -1.699
   70    HB3  CYS  10           3HB      CYS  10  -5.249   5.385  -1.479
   71    H    THR  11           H        THR  11  -7.518   8.338  -2.535
   72    HA   THR  11           HA       THR  11  -5.005   9.752  -2.881
   73    HB   THR  11           HB       THR  11  -7.319  10.452  -4.700
   74    HG1  THR  11           1HG      THR  11  -5.195   8.655  -4.998
   75   HG21  THR  11          3HG2      THR  11  -4.424  11.311  -4.703
   76   HG22  THR  11          1HG2      THR  11  -5.771  12.283  -4.118
   77   HG23  THR  11          2HG2      THR  11  -5.675  11.849  -5.827
   78    H    ARG  12           H        ARG  12  -5.954   9.853  -0.534
   79    HA   ARG  12           HA       ARG  12  -7.472  12.368  -0.365
   80    HB2  ARG  12           2HB      ARG  12  -7.909  11.791   1.994
   81    HB3  ARG  12           3HB      ARG  12  -8.548  10.582   0.868
   82    HG2  ARG  12           2HG      ARG  12  -6.769   9.055   1.374
   83    HG3  ARG  12           3HG      ARG  12  -5.944  10.288   2.348
   84    HD2  ARG  12           2HD      ARG  12  -7.666  10.289   3.993
   85    HD3  ARG  12           3HD      ARG  12  -8.718   9.310   2.960
   86    HE   ARG  12           HE       ARG  12  -7.423   7.413   3.457
   87   HH11  ARG  12          2HH1      ARG  12  -6.273  10.268   5.128
   88   HH12  ARG  12          1HH1      ARG  12  -5.483   9.367   6.391
   89   HH21  ARG  12          2HH2      ARG  12  -6.388   6.220   5.126
   90   HH22  ARG  12          1HH2      ARG  12  -5.519   7.075   6.372
   91    H    GLU  13           H        GLU  13  -4.470  11.203  -0.428
   92    HA   GLU  13           HA       GLU  13  -3.093  13.479   0.245
   93    HB2  GLU  13           2HB      GLU  13  -3.880  12.967   2.585
   94    HB3  GLU  13           3HB      GLU  13  -2.951  11.458   2.497
   95    HG2  GLU  13           2HG      GLU  13  -1.803  13.321   3.701
   96    HG3  GLU  13           3HG      GLU  13  -0.894  12.621   2.351
   97    HE2  GLU  13           HE       GLU  13  -2.058  16.390   2.085
   98    H    TRP  14           H        TRP  14  -0.806  13.158  -0.043
   99    HA   TRP  14           HA       TRP  14  -0.197  10.506  -1.158
  100    HB2  TRP  14           2HB      TRP  14  -0.126  12.351  -2.808
  101    HB3  TRP  14           3HB      TRP  14   1.079  13.174  -1.817
  102    HD1  TRP  14           1HD      TRP  14   3.590  12.429  -2.044
  103    HE1  TRP  14           1HE      TRP  14   4.826  10.759  -3.575
  104    HE3  TRP  14           3HE      TRP  14  -0.451  10.010  -4.028
  105    HZ2  TRP  14           2HZ      TRP  14   4.166   8.699  -5.383
  106    HZ3  TRP  14           3HZ      TRP  14  -0.061   8.202  -5.650
  107    HH2  TRP  14           2HH      TRP  14   2.200   7.564  -6.313
  108    H    TYR  15           H        TYR  15   0.538   9.544   0.694
  109    HA   TYR  15           HA       TYR  15   3.215  10.434   1.473
  110    HB2  TYR  15           2HB      TYR  15   1.169   8.951   3.158
  111    HB3  TYR  15           3HB      TYR  15   2.883   9.054   3.572
  112    HD1  TYR  15           1HD      TYR  15   3.676  11.754   3.207
  113    HD2  TYR  15           2HD      TYR  15  -0.075  10.281   4.582
  114    HE1  TYR  15           1HE      TYR  15   3.303  13.855   4.430
  115    HE2  TYR  15           2HE      TYR  15  -0.459  12.382   5.802
  116    HH   TYR  15           HH       TYR  15   1.313  15.167   5.276
  117    HA   PRO  16           HA       PRO  16   3.345   6.648  -0.874
  118    HB2  PRO  16           2HB      PRO  16   5.751   6.987  -2.024
  119    HB3  PRO  16           3HB      PRO  16   4.344   7.939  -2.495
  120    HG2  PRO  16           2HG      PRO  16   6.618   8.663  -0.693
  121    HG3  PRO  16           3HG      PRO  16   5.801   9.653  -1.960
  122    HD2  PRO  16           2HD      PRO  16   5.314   9.817   0.775
  123    HD3  PRO  16           3HD      PRO  16   4.196  10.340  -0.496
  124    H    VAL  17           H        VAL  17   4.039   4.659  -0.358
  125    HA   VAL  17           HA       VAL  17   6.405   4.329   1.319
  126    HB   VAL  17           HB       VAL  17   5.259   2.865   2.902
  127   HG11  VAL  17          1HG1      VAL  17   3.968   4.556   4.144
  128   HG12  VAL  17          2HG1      VAL  17   5.514   5.168   3.549
  129   HG13  VAL  17          3HG1      VAL  17   4.017   5.598   2.721
  130   HG21  VAL  17          3HG2      VAL  17   2.781   2.813   2.997
  131   HG22  VAL  17          1HG2      VAL  17   2.737   3.656   1.449
  132   HG23  VAL  17          2HG2      VAL  17   3.443   2.043   1.555
  133    H    CYS  18           H        CYS  18   6.648   1.851   1.741
  134    HA   CYS  18           HA       CYS  18   5.941   0.428  -0.733
  135    HB2  CYS  18           2HB      CYS  18   8.286   1.039  -0.780
  136    HB3  CYS  18           3HB      CYS  18   8.534   0.322   0.822
  137    H    GLY  19           H        GLY  19   4.918  -1.439  -0.447
  138    HA2  GLY  19           2HA      GLY  19   4.498  -2.490   2.224
  139    HA3  GLY  19           3HA      GLY  19   3.864  -3.154   0.710
  140    H    SER  20           H        SER  20   5.166  -4.532   2.947
  141    HA   SER  20           HA       SER  20   7.870  -4.995   2.584
  142    HB2  SER  20           2HB      SER  20   6.636  -5.563   4.627
  143    HB3  SER  20           3HB      SER  20   5.828  -6.880   3.758
  144    HG   SER  20           HG       SER  20   8.235  -7.449   3.308
  145    H    ASP  21           H        ASP  21   5.332  -6.134   0.607
  146    HA   ASP  21           HA       ASP  21   6.710  -8.456  -0.387
  147    HB2  ASP  21           2HB      ASP  21   4.230  -8.184  -0.491
  148    HB3  ASP  21           3HB      ASP  21   4.457  -6.878  -1.661
  149    HD2  ASP  21           HD       ASP  21   4.805  -9.102  -4.252
  150    H    GLY  22           H        GLY  22   7.252  -5.204  -0.650
  151    HA2  GLY  22           2HA      GLY  22   8.980  -4.186  -1.885
  152    HA3  GLY  22           3HA      GLY  22   8.916  -5.533  -3.029
  153    H    VAL  23           H        VAL  23   6.010  -3.945  -1.942
  154    HA   VAL  23           HA       VAL  23   5.603  -3.113  -4.734
  155    HB   VAL  23           HB       VAL  23   4.035  -4.783  -4.089
  156   HG11  VAL  23          1HG1      VAL  23   4.254  -4.583  -1.677
  157   HG12  VAL  23          2HG1      VAL  23   3.339  -3.077  -1.711
  158   HG13  VAL  23          3HG1      VAL  23   2.560  -4.592  -2.169
  159   HG21  VAL  23          3HG2      VAL  23   3.106  -3.006  -5.451
  160   HG22  VAL  23          1HG2      VAL  23   1.886  -3.615  -4.331
  161   HG23  VAL  23          2HG2      VAL  23   2.697  -2.081  -4.005
  162    H    THR  24           H        THR  24   4.956  -1.067  -5.232
  163    HA   THR  24           HA       THR  24   5.435   0.973  -3.262
  164    HB   THR  24           HB       THR  24   4.615   1.139  -6.164
  165    HG1  THR  24           1HG      THR  24   6.715   0.316  -5.861
  166   HG21  THR  24          3HG2      THR  24   5.513   3.321  -4.288
  167   HG22  THR  24          1HG2      THR  24   3.899   3.129  -4.975
  168   HG23  THR  24          2HG2      THR  24   5.267   3.499  -6.026
  169    H    TYR  25           H        TYR  25   3.927   1.868  -2.020
  170    HA   TYR  25           HA       TYR  25   1.147   1.777  -2.926
  171    HB2  TYR  25           2HB      TYR  25   2.404   1.715  -0.195
  172    HB3  TYR  25           3HB      TYR  25   0.715   2.114  -0.429
  173    HD1  TYR  25           2HD      TYR  25  -0.379   0.384  -2.312
  174    HD2  TYR  25           1HD      TYR  25   2.688  -0.480   0.495
  175    HE1  TYR  25           2HE      TYR  25  -0.953  -1.999  -2.441
  176    HE2  TYR  25           1HE      TYR  25   2.135  -2.870   0.369
  177    HH   TYR  25           HH       TYR  25  -0.037  -4.252  -0.256
  178    H    SER  26           H        SER  26  -0.039   3.568  -3.016
  179    HA   SER  26           HA       SER  26   1.343   5.995  -3.470
  180    HB2  SER  26           2HB      SER  26  -1.609   5.327  -3.377
  181    HB3  SER  26           3HB      SER  26  -0.956   6.862  -3.961
  182    HG   SER  26           HG       SER  26   0.394   5.297  -5.362
  183    H    ASN  27           H        ASN  27  -0.471   4.783  -0.732
  184    HA   ASN  27           HA       ASN  27   0.546   6.757   1.002
  185    HB2  ASN  27           2HB      ASN  27  -1.617   7.822   1.670
  186    HB3  ASN  27           3HB      ASN  27  -1.064   8.281   0.054
  187   HD21  ASN  27          1HD2      ASN  27  -3.126   8.904  -0.534
  188   HD22  ASN  27          2HD2      ASN  27  -4.362   7.746  -0.906
  189    HA   PRO  28           HA       PRO  28  -0.471   3.872   4.227
  190    HB2  PRO  28           2HB      PRO  28  -2.283   5.921   5.487
  191    HB3  PRO  28           3HB      PRO  28  -1.003   4.944   6.204
  192    HG2  PRO  28           2HG      PRO  28  -0.635   7.519   5.609
  193    HG3  PRO  28           3HG      PRO  28   0.685   6.311   5.393
  194    HD2  PRO  28           2HD      PRO  28  -1.022   7.687   3.363
  195    HD3  PRO  28           3HD      PRO  28   0.654   7.128   3.244
  196    H    CYS  29           H        CYS  29  -3.242   5.757   3.101
  197    HA   CYS  29           HA       CYS  29  -5.324   4.025   3.713
  198    HB2  CYS  29           2HB      CYS  29  -5.846   6.189   2.944
  199    HB3  CYS  29           3HB      CYS  29  -4.894   5.981   1.464
  200    H    ASN  30           H        ASN  30  -3.387   4.221   0.756
  201    HA   ASN  30           HA       ASN  30  -4.556   2.053  -0.586
  202    HB2  ASN  30           2HB      ASN  30  -3.295   3.693  -1.785
  203    HB3  ASN  30           3HB      ASN  30  -1.855   3.384  -0.807
  204   HD21  ASN  30          1HD2      ASN  30  -3.732   0.678  -1.944
  205   HD22  ASN  30          2HD2      ASN  30  -2.598   0.196  -3.141
  206    H    PHE  31           H        PHE  31  -1.673   2.218   1.494
  207    HA   PHE  31           HA       PHE  31  -0.888  -0.446   1.212
  208    HB2  PHE  31           1HB      PHE  31   0.633   1.150   2.154
  209    HB3  PHE  31           2HB      PHE  31  -0.494   1.541   3.456
  210    HD1  PHE  31           2HD      PHE  31   1.928  -0.958   2.241
  211    HD2  PHE  31           1HD      PHE  31  -0.693   0.164   5.405
  212    HE1  PHE  31           2HE      PHE  31   3.007  -2.593   3.716
  213    HE2  PHE  31           1HE      PHE  31   0.389  -1.475   6.881
  214    HZ   PHE  31           HZ       PHE  31   2.240  -2.859   6.034
  215    H    SER  32           H        SER  32  -2.979   1.082   3.679
  216    HA   SER  32           HA       SER  32  -3.384  -1.298   5.149
  217    HB2  SER  32           2HB      SER  32  -3.739   1.025   6.022
  218    HB3  SER  32           3HB      SER  32  -5.217   1.106   5.047
  219    HG   SER  32           HG       SER  32  -6.217  -0.064   6.474
  220    H    ALA  33           H        ALA  33  -5.439   0.341   2.737
  221    HA   ALA  33           HA       ALA  33  -7.583  -1.490   2.908
  222    HB1  ALA  33           1HB      ALA  33  -8.387  -0.459   0.855
  223    HB2  ALA  33           2HB      ALA  33  -7.809   0.770   1.982
  224    HB3  ALA  33           3HB      ALA  33  -6.813   0.296   0.604
  225    H    GLN  34           H        GLN  34  -4.818  -1.260   0.724
  226    HA   GLN  34           HA       GLN  34  -5.541  -3.429  -0.926
  227    HB2  GLN  34           2HB      GLN  34  -3.879  -1.773  -1.606
  228    HB3  GLN  34           3HB      GLN  34  -2.805  -2.300  -0.303
  229    HG2  GLN  34           2HG      GLN  34  -1.996  -3.274  -2.292
  230    HG3  GLN  34           3HG      GLN  34  -2.767  -4.560  -1.356
  231   HE21  GLN  34          1HE2      GLN  34  -2.296  -4.721  -4.091
  232   HE22  GLN  34          2HE2      GLN  34  -3.810  -4.777  -4.917
  233    H    GLN  35           H        GLN  35  -3.783  -3.190   2.095
  234    HA   GLN  35           HA       GLN  35  -2.782  -5.851   1.979
  235    HB2  GLN  35           2HB      GLN  35  -2.541  -3.568   3.738
  236    HB3  GLN  35           3HB      GLN  35  -2.754  -5.070   4.653
  237    HG2  GLN  35           2HG      GLN  35  -0.394  -4.530   4.254
  238    HG3  GLN  35           3HG      GLN  35  -0.872  -6.070   3.553
  239   HE21  GLN  35          1HE2      GLN  35   0.533  -3.134   3.013
  240   HE22  GLN  35          2HE2      GLN  35   0.738  -3.283   1.309
  241    H    GLU  36           H        GLU  36  -5.518  -4.326   3.675
  242    HA   GLU  36           HA       GLU  36  -6.288  -6.669   5.039
  243    HB2  GLU  36           2HB      GLU  36  -8.521  -5.558   5.274
  244    HB3  GLU  36           3HB      GLU  36  -7.143  -4.587   5.817
  245    HG2  GLU  36           2HG      GLU  36  -7.197  -3.278   3.799
  246    HG3  GLU  36           3HG      GLU  36  -8.487  -4.296   3.150
  247    HE2  GLU  36           HE       GLU  36  -9.488  -1.780   6.062
  248    H    GLN  37           H        GLN  37  -6.962  -5.536   1.770
  249    HA   GLN  37           HA       GLN  37  -8.853  -7.700   1.331
  250    HB2  GLN  37           2HB      GLN  37  -7.894  -5.371  -0.232
  251    HB3  GLN  37           3HB      GLN  37  -8.441  -6.789  -1.152
  252    HG2  GLN  37           2HG      GLN  37 -10.169  -5.010  -0.742
  253    HG3  GLN  37           3HG      GLN  37 -10.614  -6.655  -0.265
  254   HE21  GLN  37          1HE2      GLN  37  -9.695  -3.499   0.870
  255   HE22  GLN  37          2HE2      GLN  37 -10.245  -3.706   2.502
  256    H    CYS  38           H        CYS  38  -5.473  -7.044   0.634
  257    HA   CYS  38           HA       CYS  38  -5.420  -9.450  -1.037
  258    HB2  CYS  38           2HB      CYS  38  -3.355  -7.271  -0.962
  259    HB3  CYS  38           3HB      CYS  38  -3.540  -8.553  -2.173
  260    H    ASP  39           H        ASP  39  -2.804  -7.791   0.726
  261    HA   ASP  39           HA       ASP  39  -2.095 -10.416   1.879
  262    HB2  ASP  39           2HB      ASP  39  -0.706  -9.806  -0.132
  263    HB3  ASP  39           3HB      ASP  39  -0.107  -8.418   0.785
  264    HD2  ASP  39           HD       ASP  39   1.143 -11.293   2.969
  265    HA   PRO  40           HA       PRO  40  -2.636  -7.226   5.117
  266    HB2  PRO  40           2HB      PRO  40  -3.431  -8.957   7.088
  267    HB3  PRO  40           3HB      PRO  40  -4.504  -8.336   5.834
  268    HG2  PRO  40           2HG      PRO  40  -3.018 -10.940   5.944
  269    HG3  PRO  40           3HG      PRO  40  -4.739 -10.628   5.506
  270    HD2  PRO  40           2HD      PRO  40  -2.834 -11.058   3.639
  271    HD3  PRO  40           3HD      PRO  40  -4.175  -9.930   3.380
  272    H    ASN  41           H        ASN  41  -0.397  -9.785   4.902
  273    HA   ASN  41           HA       ASN  41   0.555  -9.342   7.634
  274    HB2  ASN  41           2HB      ASN  41   1.203 -11.565   5.693
  275    HB3  ASN  41           3HB      ASN  41   1.820 -11.438   7.346
  276   HD21  ASN  41          1HD2      ASN  41   0.411 -11.727   9.087
  277   HD22  ASN  41          2HD2      ASN  41  -1.108 -12.533   8.901
  278    H    ILE  42           H        ILE  42   1.236  -7.834   4.889
  279    HA   ILE  42           HA       ILE  42   4.132  -7.913   5.331
  280    HB   ILE  42           HB       ILE  42   4.481  -6.666   3.360
  281   HG12  ILE  42          2HG1      ILE  42   1.496  -6.222   3.249
  282   HG13  ILE  42          3HG1      ILE  42   2.721  -5.001   3.636
  283   HG21  ILE  42          1HG2      ILE  42   2.277  -8.649   2.882
  284   HG22  ILE  42          2HG2      ILE  42   3.331  -7.986   1.635
  285   HG23  ILE  42          3HG2      ILE  42   4.011  -8.974   2.927
  286   HD11  ILE  42          3HD1      ILE  42   2.490  -6.433   1.002
  287   HD12  ILE  42          1HD1      ILE  42   1.920  -4.798   1.340
  288   HD13  ILE  42          2HD1      ILE  42   3.646  -5.165   1.407
  289    H    THR  43           H        THR  43   5.317  -6.053   5.770
  290    HA   THR  43           HA       THR  43   3.805  -4.018   7.270
  291    HB   THR  43           HB       THR  43   6.720  -4.098   7.604
  292    HG1  THR  43           1HG      THR  43   5.410  -6.227   8.894
  293   HG21  THR  43          3HG2      THR  43   4.435  -4.305   9.566
  294   HG22  THR  43          1HG2      THR  43   5.199  -2.804   9.044
  295   HG23  THR  43          2HG2      THR  43   6.121  -3.990   9.967
  296    H    ILE  44           H        ILE  44   4.855  -1.774   7.205
  297    HA   ILE  44           HA       ILE  44   5.442  -1.026   4.513
  298    HB   ILE  44           HB       ILE  44   5.848   0.555   7.067
  299   HG12  ILE  44          2HG1      ILE  44   3.603   0.598   5.032
  300   HG13  ILE  44          3HG1      ILE  44   3.502  -0.083   6.664
  301   HG21  ILE  44          1HG2      ILE  44   5.836   1.473   4.190
  302   HG22  ILE  44          2HG2      ILE  44   5.907   2.527   5.602
  303   HG23  ILE  44          3HG2      ILE  44   7.234   1.418   5.262
  304   HD11  ILE  44          3HD1      ILE  44   3.881   2.138   7.617
  305   HD12  ILE  44          1HD1      ILE  44   3.950   2.816   5.990
  306   HD13  ILE  44          2HD1      ILE  44   2.454   2.098   6.583
  307    H    ALA  45           H        ALA  45   7.284  -1.279   3.508
  308    HA   ALA  45           HA       ALA  45   9.586  -2.296   4.864
  309    HB1  ALA  45           1HB      ALA  45   8.979  -3.088   2.637
  310    HB2  ALA  45           2HB      ALA  45   9.245  -1.471   1.981
  311    HB3  ALA  45           3HB      ALA  45  10.600  -2.391   2.642
  312    H    HIS  46           H        HIS  46   8.920   0.671   3.024
  313    HA   HIS  46           HA       HIS  46  10.557   2.194   4.792
  314    HB2  HIS  46           2HB      HIS  46  12.194   2.991   3.190
  315    HB3  HIS  46           3HB      HIS  46  12.309   1.236   3.342
  316    HD1  HIS  46           1HD      HIS  46  11.210   3.898   0.918
  317    HD2  HIS  46           2HD      HIS  46  11.823  -0.212   1.045
  318    HE1  HIS  46           1HE      HIS  46  11.106   3.124  -1.469
  319    HE2  HIS  46           2HE      HIS  46  11.741   0.683  -1.375
  320    H    MET  47           H        MET  47  10.454   4.450   4.374
  321    HA   MET  47           HA       MET  47   7.980   5.327   3.266
  322    HB2  MET  47           2HB      MET  47   9.161   6.422   5.182
  323    HB3  MET  47           3HB      MET  47  10.399   6.973   4.044
  324    HG2  MET  47           2HG      MET  47   8.896   8.787   4.480
  325    HG3  MET  47           3HG      MET  47   8.666   8.237   2.817
  326    HE1  MET  47           3HE      MET  47   6.376   9.557   2.687
  327    HE2  MET  47           1HE      MET  47   5.059   9.358   3.843
  328    HE3  MET  47           2HE      MET  47   6.574  10.103   4.353
  329    H    GLY  48           H        GLY  48   7.623   6.497   1.365
  330    HA2  GLY  48           2HA      GLY  48   8.268   7.490  -0.688
  331    HA3  GLY  48           3HA      GLY  48   9.868   6.760  -0.500
  332    H    GLU  49           H        GLU  49   8.175   6.667  -2.833
  333    HA   GLU  49           HA       GLU  49   6.836   4.204  -3.053
  334    HB2  GLU  49           2HB      GLU  49   8.119   5.935  -5.177
  335    HB3  GLU  49           3HB      GLU  49   7.084   4.543  -5.520
  336    HG2  GLU  49           2HG      GLU  49   5.291   5.699  -4.143
  337    HG3  GLU  49           3HG      GLU  49   6.323   7.135  -4.215
  338    HE2  GLU  49           HE       GLU  49   5.503   7.740  -7.526
  339    H    CYS  50           H        CYS  50   7.474   2.259  -4.127
  340    HA   CYS  50           HA       CYS  50  10.197   1.570  -3.387
  341    HB2  CYS  50           1HB      CYS  50   7.764   0.313  -3.066
  342    HB3  CYS  50           2HB      CYS  50   8.519  -0.595  -4.387
  Start of MODEL    7
    1    H1   ALA   1           1H       ALA   1 -13.602  -8.573  -1.528
    2    H2   ALA   1           2H       ALA   1 -13.590  -6.948  -2.015
    3    H3   ALA   1           3H       ALA   1 -12.970  -7.385  -0.500
    4    HA   ALA   1           HA       ALA   1 -11.851  -8.286  -3.088
    5    HB1  ALA   1           2HB      ALA   1 -10.755  -6.188  -1.221
    6    HB2  ALA   1           3HB      ALA   1 -10.052  -6.721  -2.751
    7    HB3  ALA   1           1HB      ALA   1 -11.585  -5.846  -2.739
    8    H    GLU   2           H        GLU   2 -10.567  -9.989  -2.867
    9    HA   GLU   2           HA       GLU   2  -9.236 -10.418  -0.288
   10    HB2  GLU   2           2HB      GLU   2  -9.584 -12.819  -0.409
   11    HB3  GLU   2           3HB      GLU   2 -11.138 -11.974  -0.408
   12    HG2  GLU   2           2HG      GLU   2  -9.776 -13.139  -2.836
   13    HG3  GLU   2           3HG      GLU   2 -11.121 -13.867  -1.942
   14    HE2  GLU   2           HE       GLU   2 -13.413 -11.625  -3.325
   15    H    ASP   3           H        ASP   3  -9.295 -10.982  -3.770
   16    HA   ASP   3           HA       ASP   3  -6.362 -11.247  -3.648
   17    HB2  ASP   3           2HB      ASP   3  -7.445 -13.243  -4.590
   18    HB3  ASP   3           3HB      ASP   3  -8.257 -12.233  -5.796
   19    HD2  ASP   3           HD       ASP   3  -5.487 -12.197  -7.836
   20    H    CYS   4           H        CYS   4  -5.461  -9.368  -4.083
   21    HA   CYS   4           HA       CYS   4  -5.974  -8.179  -6.658
   22    HB2  CYS   4           2HB      CYS   4  -6.257  -5.934  -5.911
   23    HB3  CYS   4           3HB      CYS   4  -7.460  -6.917  -5.060
   24    H    VAL   5           H        VAL   5  -4.120  -7.196  -7.478
   25    HA   VAL   5           HA       VAL   5  -1.743  -7.573  -5.794
   26    HB   VAL   5           HB       VAL   5  -1.959  -9.558  -7.181
   27   HG11  VAL   5          1HG1      VAL   5  -1.830  -9.432  -9.613
   28   HG12  VAL   5          2HG1      VAL   5  -3.260  -8.601  -8.999
   29   HG13  VAL   5          3HG1      VAL   5  -1.856  -7.670  -9.525
   30   HG21  VAL   5          3HG2      VAL   5   0.278  -7.760  -8.112
   31   HG22  VAL   5          1HG2      VAL   5   0.281  -8.752  -6.654
   32   HG23  VAL   5          2HG2      VAL   5   0.244  -9.519  -8.242
   33    H    GLY   6           H        GLY   6  -0.334  -5.993  -5.845
   34    HA2  GLY   6           2HA      GLY   6   1.068  -4.490  -7.156
   35    HA3  GLY   6           3HA      GLY   6  -0.361  -4.138  -8.138
   36    H    ARG   7           H        ARG   7  -1.187  -2.201  -7.724
   37    HA   ARG   7           HA       ARG   7  -1.547  -1.543  -4.894
   38    HB2  ARG   7           2HB      ARG   7  -1.159   0.804  -5.292
   39    HB3  ARG   7           3HB      ARG   7   0.256  -0.129  -5.798
   40    HG2  ARG   7           2HG      ARG   7  -0.451   0.062  -8.142
   41    HG3  ARG   7           3HG      ARG   7  -1.844   1.027  -7.618
   42    HD2  ARG   7           2HD      ARG   7  -0.290   2.670  -6.602
   43    HD3  ARG   7           3HD      ARG   7   1.062   1.727  -7.238
   44    HE   ARG   7           HE       ARG   7  -0.914   2.707  -9.154
   45   HH11  ARG   7          2HH1      ARG   7   2.298   2.853  -7.789
   46   HH12  ARG   7          1HH1      ARG   7   2.901   3.975  -8.977
   47   HH21  ARG   7          2HH2      ARG   7  -0.124   4.194 -10.737
   48   HH22  ARG   7          1HH2      ARG   7   1.521   4.729 -10.643
   49    H    LYS   8           H        LYS   8  -3.565  -1.077  -4.343
   50    HA   LYS   8           HA       LYS   8  -5.494  -0.538  -6.478
   51    HB2  LYS   8           2HB      LYS   8  -5.798  -1.369  -3.591
   52    HB3  LYS   8           3HB      LYS   8  -7.166  -0.739  -4.523
   53    HG2  LYS   8           2HG      LYS   8  -5.548  -3.222  -5.111
   54    HG3  LYS   8           3HG      LYS   8  -7.242  -3.129  -4.595
   55    HD2  LYS   8           2HD      LYS   8  -7.797  -1.927  -6.691
   56    HD3  LYS   8           3HD      LYS   8  -6.112  -2.121  -7.208
   57    HE2  LYS   8           2HE      LYS   8  -6.411  -4.606  -6.988
   58    HE3  LYS   8           3HE      LYS   8  -8.130  -4.300  -6.698
   59    HZ1  LYS   8           3HZ      LYS   8  -8.162  -3.137  -8.893
   60    HZ2  LYS   8           1HZ      LYS   8  -7.867  -4.804  -8.983
   61    HZ3  LYS   8           2HZ      LYS   8  -6.589  -3.702  -9.165
   62    H    ALA   9           H        ALA   9  -6.310   1.458  -6.774
   63    HA   ALA   9           HA       ALA   9  -4.617   3.474  -5.668
   64    HB1  ALA   9           1HB      ALA   9  -6.857   3.750  -7.656
   65    HB2  ALA   9           2HB      ALA   9  -5.611   4.948  -7.313
   66    HB3  ALA   9           3HB      ALA   9  -5.175   3.404  -8.044
   67    H    CYS  10           H        CYS  10  -4.965   4.504  -3.898
   68    HA   CYS  10           HA       CYS  10  -7.614   5.709  -3.450
   69    HB2  CYS  10           2HB      CYS  10  -7.221   4.040  -1.709
   70    HB3  CYS  10           3HB      CYS  10  -5.625   4.730  -1.370
   71    H    THR  11           H        THR  11  -7.469   7.959  -2.778
   72    HA   THR  11           HA       THR  11  -4.816   9.145  -2.761
   73    HB   THR  11           HB       THR  11  -6.808  10.057  -4.842
   74    HG1  THR  11           1HG      THR  11  -4.912   8.019  -4.896
   75   HG21  THR  11          3HG2      THR  11  -4.804  11.175  -5.787
   76   HG22  THR  11          1HG2      THR  11  -3.880  10.639  -4.385
   77   HG23  THR  11          2HG2      THR  11  -5.224  11.761  -4.178
   78    H    ARG  12           H        ARG  12  -6.139   9.236  -0.588
   79    HA   ARG  12           HA       ARG  12  -7.752  11.661  -0.435
   80    HB2  ARG  12           2HB      ARG  12  -8.044  11.087   1.905
   81    HB3  ARG  12           3HB      ARG  12  -8.345   9.658   0.906
   82    HG2  ARG  12           2HG      ARG  12  -6.083   8.829   1.405
   83    HG3  ARG  12           3HG      ARG  12  -5.819  10.244   2.441
   84    HD2  ARG  12           2HD      ARG  12  -6.433   8.404   3.852
   85    HD3  ARG  12           3HD      ARG  12  -7.789   9.539   3.796
   86    HE   ARG  12           HE       ARG  12  -7.737   7.120   2.108
   87   HH11  ARG  12          2HH1      ARG  12  -9.358   9.265   4.344
   88   HH12  ARG  12          1HH1      ARG  12 -10.805   8.298   4.419
   89   HH21  ARG  12          2HH2      ARG  12  -9.636   5.860   2.180
   90   HH22  ARG  12          1HH2      ARG  12 -10.967   6.373   3.163
   91    H    GLU  13           H        GLU  13  -4.563  10.756  -0.398
   92    HA   GLU  13           HA       GLU  13  -3.446  13.223   0.380
   93    HB2  GLU  13           2HB      GLU  13  -4.208  12.431   2.615
   94    HB3  GLU  13           3HB      GLU  13  -3.245  10.961   2.393
   95    HG2  GLU  13           2HG      GLU  13  -1.196  12.247   2.408
   96    HG3  GLU  13           3HG      GLU  13  -2.125  13.748   2.533
   97    HE2  GLU  13           HE       GLU  13  -1.624  11.568   5.793
   98    H    TRP  14           H        TRP  14  -1.027  13.059   0.192
   99    HA   TRP  14           HA       TRP  14  -0.266  10.527  -1.102
  100    HB2  TRP  14           2HB      TRP  14  -0.402  12.396  -2.716
  101    HB3  TRP  14           3HB      TRP  14   0.776  13.291  -1.756
  102    HD1  TRP  14           1HD      TRP  14   3.330  12.680  -2.026
  103    HE1  TRP  14           1HE      TRP  14   4.628  11.143  -3.641
  104    HE3  TRP  14           3HE      TRP  14  -0.613  10.104  -4.031
  105    HZ2  TRP  14           2HZ      TRP  14   4.045   9.118  -5.514
  106    HZ3  TRP  14           3HZ      TRP  14  -0.151   8.385  -5.730
  107    HH2  TRP  14           2HH      TRP  14   2.130   7.904  -6.455
  108    H    TYR  15           H        TYR  15   0.552   9.616   0.743
  109    HA   TYR  15           HA       TYR  15   3.223  10.600   1.403
  110    HB2  TYR  15           2HB      TYR  15   1.137   9.382   3.192
  111    HB3  TYR  15           3HB      TYR  15   2.834   9.012   3.495
  112    HD1  TYR  15           1HD      TYR  15   0.506  11.893   3.109
  113    HD2  TYR  15           2HD      TYR  15   4.167  10.459   4.726
  114    HE1  TYR  15           1HE      TYR  15   0.761  13.986   4.370
  115    HE2  TYR  15           2HE      TYR  15   4.434  12.547   5.993
  116    HH   TYR  15           HH       TYR  15   1.905  14.797   6.375
  117    HA   PRO  16           HA       PRO  16   3.365   6.815  -0.913
  118    HB2  PRO  16           2HB      PRO  16   5.760   7.170  -2.101
  119    HB3  PRO  16           3HB      PRO  16   4.332   8.092  -2.566
  120    HG2  PRO  16           2HG      PRO  16   6.621   8.881  -0.811
  121    HG3  PRO  16           3HG      PRO  16   5.758   9.841  -2.070
  122    HD2  PRO  16           2HD      PRO  16   5.322  10.027   0.670
  123    HD3  PRO  16           3HD      PRO  16   4.167  10.509  -0.584
  124    H    VAL  17           H        VAL  17   4.086   4.828  -0.416
  125    HA   VAL  17           HA       VAL  17   6.443   4.530   1.284
  126    HB   VAL  17           HB       VAL  17   5.314   3.095   2.884
  127   HG11  VAL  17          1HG1      VAL  17   3.970   4.742   4.078
  128   HG12  VAL  17          2HG1      VAL  17   5.445   5.455   3.427
  129   HG13  VAL  17          3HG1      VAL  17   3.900   5.740   2.624
  130   HG21  VAL  17          3HG2      VAL  17   2.776   3.755   1.397
  131   HG22  VAL  17          1HG2      VAL  17   3.561   2.178   1.497
  132   HG23  VAL  17          2HG2      VAL  17   2.862   2.906   2.941
  133    H    CYS  18           H        CYS  18   6.604   2.011   1.769
  134    HA   CYS  18           HA       CYS  18   6.023   0.585  -0.736
  135    HB2  CYS  18           2HB      CYS  18   8.389   1.312  -0.590
  136    HB3  CYS  18           3HB      CYS  18   8.554   0.359   0.896
  137    H    GLY  19           H        GLY  19   5.145  -1.370  -0.508
  138    HA2  GLY  19           2HA      GLY  19   4.637  -2.412   2.161
  139    HA3  GLY  19           3HA      GLY  19   4.082  -3.104   0.631
  140    H    SER  20           H        SER  20   5.358  -4.414   2.924
  141    HA   SER  20           HA       SER  20   8.091  -4.800   2.655
  142    HB2  SER  20           2HB      SER  20   6.653  -5.400   4.631
  143    HB3  SER  20           3HB      SER  20   6.144  -6.842   3.735
  144    HG   SER  20           HG       SER  20   7.984  -7.771   4.166
  145    H    ASP  21           H        ASP  21   5.628  -6.028   0.641
  146    HA   ASP  21           HA       ASP  21   7.070  -8.321  -0.317
  147    HB2  ASP  21           2HB      ASP  21   4.568  -8.011  -0.439
  148    HB3  ASP  21           3HB      ASP  21   4.843  -6.796  -1.693
  149    HD2  ASP  21           HD       ASP  21   5.225 -10.614  -2.645
  150    H    GLY  22           H        GLY  22   7.524  -5.049  -0.592
  151    HA2  GLY  22           2HA      GLY  22   9.251  -3.983  -1.776
  152    HA3  GLY  22           3HA      GLY  22   9.289  -5.351  -2.897
  153    H    VAL  23           H        VAL  23   6.307  -3.805  -1.956
  154    HA   VAL  23           HA       VAL  23   5.972  -3.043  -4.775
  155    HB   VAL  23           HB       VAL  23   4.427  -4.726  -4.209
  156   HG11  VAL  23          1HG1      VAL  23   3.704  -3.114  -1.773
  157   HG12  VAL  23          2HG1      VAL  23   2.879  -4.577  -2.308
  158   HG13  VAL  23          3HG1      VAL  23   4.569  -4.650  -1.807
  159   HG21  VAL  23          3HG2      VAL  23   3.458  -2.952  -5.538
  160   HG22  VAL  23          1HG2      VAL  23   2.245  -3.619  -4.446
  161   HG23  VAL  23          2HG2      VAL  23   3.006  -2.071  -4.078
  162    H    THR  24           H        THR  24   5.201  -1.038  -5.353
  163    HA   THR  24           HA       THR  24   5.712   1.091  -3.470
  164    HB   THR  24           HB       THR  24   4.742   1.237  -6.331
  165    HG1  THR  24           1HG      THR  24   7.036   1.702  -6.710
  166   HG21  THR  24          3HG2      THR  24   6.088   3.316  -4.615
  167   HG22  THR  24          1HG2      THR  24   4.380   3.292  -5.051
  168   HG23  THR  24          2HG2      THR  24   5.605   3.507  -6.300
  169    H    TYR  25           H        TYR  25   4.214   2.101  -2.280
  170    HA   TYR  25           HA       TYR  25   1.421   1.942  -3.153
  171    HB2  TYR  25           2HB      TYR  25   2.681   1.932  -0.426
  172    HB3  TYR  25           3HB      TYR  25   0.990   2.322  -0.670
  173    HD1  TYR  25           1HD      TYR  25  -0.358   0.640  -2.172
  174    HD2  TYR  25           2HD      TYR  25   3.234  -0.301  -0.107
  175    HE1  TYR  25           1HE      TYR  25  -0.906  -1.747  -2.327
  176    HE2  TYR  25           2HE      TYR  25   2.694  -2.691  -0.255
  177    HH   TYR  25           HH       TYR  25   0.230  -3.888  -2.282
  178    H    SER  26           H        SER  26   0.208   3.695  -3.233
  179    HA   SER  26           HA       SER  26   1.514   6.166  -3.673
  180    HB2  SER  26           2HB      SER  26  -1.420   5.416  -3.551
  181    HB3  SER  26           3HB      SER  26  -0.803   6.966  -4.141
  182    HG   SER  26           HG       SER  26  -0.021   6.020  -5.903
  183    H    ASN  27           H        ASN  27  -0.174   4.818  -0.938
  184    HA   ASN  27           HA       ASN  27   0.664   6.821   0.835
  185    HB2  ASN  27           2HB      ASN  27  -1.563   7.814   1.399
  186    HB3  ASN  27           3HB      ASN  27  -0.952   8.278  -0.194
  187   HD21  ASN  27          1HD2      ASN  27  -2.886   8.752  -1.090
  188   HD22  ASN  27          2HD2      ASN  27  -4.086   7.556  -1.458
  189    HA   PRO  28           HA       PRO  28  -0.405   3.920   4.006
  190    HB2  PRO  28           2HB      PRO  28  -2.308   5.912   5.211
  191    HB3  PRO  28           3HB      PRO  28  -1.013   4.979   5.961
  192    HG2  PRO  28           2HG      PRO  28  -0.722   7.566   5.374
  193    HG3  PRO  28           3HG      PRO  28   0.648   6.406   5.192
  194    HD2  PRO  28           2HD      PRO  28  -1.067   7.708   3.117
  195    HD3  PRO  28           3HD      PRO  28   0.639   7.229   3.047
  196    H    CYS  29           H        CYS  29  -3.234   5.760   2.891
  197    HA   CYS  29           HA       CYS  29  -5.250   3.948   3.467
  198    HB2  CYS  29           2HB      CYS  29  -5.683   6.208   2.729
  199    HB3  CYS  29           3HB      CYS  29  -4.984   5.863   1.139
  200    H    ASN  30           H        ASN  30  -3.222   4.165   0.577
  201    HA   ASN  30           HA       ASN  30  -4.421   2.125  -0.931
  202    HB2  ASN  30           2HB      ASN  30  -2.790   3.919  -1.679
  203    HB3  ASN  30           3HB      ASN  30  -1.509   2.954  -0.936
  204   HD21  ASN  30          1HD2      ASN  30  -2.818   0.408  -1.820
  205   HD22  ASN  30          2HD2      ASN  30  -2.443   0.308  -3.502
  206    H    PHE  31           H        PHE  31  -1.630   2.112   1.268
  207    HA   PHE  31           HA       PHE  31  -1.032  -0.630   0.967
  208    HB2  PHE  31           1HB      PHE  31   0.652   0.909   1.778
  209    HB3  PHE  31           2HB      PHE  31  -0.343   1.330   3.174
  210    HD1  PHE  31           2HD      PHE  31  -0.587  -0.193   5.056
  211    HD2  PHE  31           1HD      PHE  31   1.911  -1.178   1.752
  212    HE1  PHE  31           2HE      PHE  31   0.479  -1.963   6.389
  213    HE2  PHE  31           1HE      PHE  31   2.983  -2.936   3.085
  214    HZ   PHE  31           HZ       PHE  31   2.266  -3.336   5.400
  215    H    SER  32           H        SER  32  -2.884   1.169   3.401
  216    HA   SER  32           HA       SER  32  -3.277  -1.011   5.139
  217    HB2  SER  32           2HB      SER  32  -3.518   1.398   5.765
  218    HB3  SER  32           3HB      SER  32  -5.028   1.442   4.839
  219    HG   SER  32           HG       SER  32  -4.550  -0.385   6.968
  220    H    ALA  33           H        ALA  33  -5.422   0.406   2.653
  221    HA   ALA  33           HA       ALA  33  -7.554  -1.380   3.197
  222    HB1  ALA  33           1HB      ALA  33  -8.561  -0.518   1.170
  223    HB2  ALA  33           2HB      ALA  33  -7.876   0.799   2.123
  224    HB3  ALA  33           3HB      ALA  33  -7.025   0.209   0.696
  225    H    GLN  34           H        GLN  34  -5.013  -1.350   0.722
  226    HA   GLN  34           HA       GLN  34  -5.973  -3.634  -0.636
  227    HB2  GLN  34           2HB      GLN  34  -4.525  -2.201  -1.820
  228    HB3  GLN  34           3HB      GLN  34  -3.297  -2.264  -0.547
  229    HG2  GLN  34           2HG      GLN  34  -2.515  -4.319  -1.185
  230    HG3  GLN  34           3HG      GLN  34  -4.044  -4.776  -1.944
  231   HE21  GLN  34          1HE2      GLN  34  -3.011  -5.399  -3.815
  232   HE22  GLN  34          2HE2      GLN  34  -2.343  -4.267  -4.931
  233    H    GLN  35           H        GLN  35  -3.954  -3.197   2.151
  234    HA   GLN  35           HA       GLN  35  -2.921  -5.877   2.133
  235    HB2  GLN  35           2HB      GLN  35  -2.591  -3.449   3.756
  236    HB3  GLN  35           3HB      GLN  35  -2.425  -4.968   4.646
  237    HG2  GLN  35           2HG      GLN  35  -0.308  -3.920   3.727
  238    HG3  GLN  35           3HG      GLN  35  -0.562  -5.634   3.406
  239   HE21  GLN  35          1HE2      GLN  35   1.054  -3.605   2.097
  240   HE22  GLN  35          2HE2      GLN  35   0.638  -3.696   0.426
  241    H    GLU  36           H        GLU  36  -5.329  -4.118   4.082
  242    HA   GLU  36           HA       GLU  36  -5.989  -6.276   5.760
  243    HB2  GLU  36           2HB      GLU  36  -8.070  -5.060   6.246
  244    HB3  GLU  36           3HB      GLU  36  -6.664  -3.986   6.281
  245    HG2  GLU  36           2HG      GLU  36  -7.201  -3.141   4.072
  246    HG3  GLU  36           3HG      GLU  36  -8.568  -4.258   3.968
  247    HE2  GLU  36           HE       GLU  36 -10.615  -2.108   5.663
  248    H    GLN  37           H        GLN  37  -6.962  -5.463   2.512
  249    HA   GLN  37           HA       GLN  37  -9.064  -7.481   2.558
  250    HB2  GLN  37           2HB      GLN  37  -8.194  -5.534   0.417
  251    HB3  GLN  37           3HB      GLN  37  -9.575  -6.634   0.287
  252    HG2  GLN  37           2HG      GLN  37 -10.808  -5.503   1.912
  253    HG3  GLN  37           3HG      GLN  37  -9.376  -4.676   2.542
  254   HE21  GLN  37          1HE2      GLN  37  -8.388  -4.025  -0.119
  255   HE22  GLN  37          2HE2      GLN  37  -9.363  -2.719  -0.681
  256    H    CYS  38           H        CYS  38  -5.833  -7.031   1.186
  257    HA   CYS  38           HA       CYS  38  -6.224  -9.556  -0.281
  258    HB2  CYS  38           2HB      CYS  38  -4.513  -7.216  -1.101
  259    HB3  CYS  38           3HB      CYS  38  -4.739  -8.713  -2.021
  260    H    ASP  39           H        ASP  39  -3.434  -7.527   0.782
  261    HA   ASP  39           HA       ASP  39  -2.017 -10.052   1.321
  262    HB2  ASP  39           2HB      ASP  39  -1.152  -7.530  -0.025
  263    HB3  ASP  39           3HB      ASP  39   0.046  -8.414   0.931
  264    HD2  ASP  39           HD       ASP  39   0.487 -10.720  -1.552
  265    HA   PRO  40           HA       PRO  40  -2.384  -7.610   5.255
  266    HB2  PRO  40           2HB      PRO  40  -2.918 -10.183   6.559
  267    HB3  PRO  40           3HB      PRO  40  -3.936  -8.749   6.446
  268    HG2  PRO  40           2HG      PRO  40  -4.446 -11.087   5.149
  269    HG3  PRO  40           3HG      PRO  40  -4.975  -9.476   4.538
  270    HD2  PRO  40           2HD      PRO  40  -2.665 -11.202   3.689
  271    HD3  PRO  40           3HD      PRO  40  -3.771 -10.227   2.706
  272    H    ASN  41           H        ASN  41  -0.383 -10.109   4.169
  273    HA   ASN  41           HA       ASN  41   0.864 -10.742   6.674
  274    HB2  ASN  41           2HB      ASN  41   1.718 -11.473   3.861
  275    HB3  ASN  41           3HB      ASN  41   2.316 -12.204   5.356
  276   HD21  ASN  41          1HD2      ASN  41  -0.259 -12.239   6.664
  277   HD22  ASN  41          2HD2      ASN  41  -1.190 -13.480   5.895
  278    H    ILE  42           H        ILE  42   1.412  -8.331   4.271
  279    HA   ILE  42           HA       ILE  42   4.237  -8.136   5.001
  280    HB   ILE  42           HB       ILE  42   4.580  -6.693   3.154
  281   HG12  ILE  42          2HG1      ILE  42   1.568  -6.590   2.884
  282   HG13  ILE  42          3HG1      ILE  42   2.631  -5.252   3.352
  283   HG21  ILE  42          1HG2      ILE  42   2.647  -8.863   2.358
  284   HG22  ILE  42          2HG2      ILE  42   3.754  -8.029   1.269
  285   HG23  ILE  42          3HG2      ILE  42   4.390  -9.035   2.572
  286   HD11  ILE  42          3HD1      ILE  42   3.672  -5.288   1.147
  287   HD12  ILE  42          1HD1      ILE  42   2.611  -6.618   0.671
  288   HD13  ILE  42          2HD1      ILE  42   1.926  -5.032   1.042
  289    H    THR  43           H        THR  43   5.186  -6.197   5.671
  290    HA   THR  43           HA       THR  43   3.356  -4.339   7.039
  291    HB   THR  43           HB       THR  43   5.394  -3.810   8.464
  292    HG1  THR  43           1HG      THR  43   7.034  -5.444   8.464
  293   HG21  THR  43          3HG2      THR  43   5.139  -5.787   9.886
  294   HG22  THR  43          1HG2      THR  43   4.341  -6.637   8.563
  295   HG23  THR  43          2HG2      THR  43   3.577  -5.222   9.291
  296    H    ILE  44           H        ILE  44   4.316  -2.059   7.238
  297    HA   ILE  44           HA       ILE  44   5.080  -1.083   4.695
  298    HB   ILE  44           HB       ILE  44   5.363   0.289   7.382
  299   HG12  ILE  44          2HG1      ILE  44   3.135   0.446   5.333
  300   HG13  ILE  44          3HG1      ILE  44   3.045  -0.432   6.866
  301   HG21  ILE  44          1HG2      ILE  44   5.342   1.408   4.579
  302   HG22  ILE  44          2HG2      ILE  44   5.323   2.368   6.058
  303   HG23  ILE  44          3HG2      ILE  44   6.718   1.357   5.681
  304   HD11  ILE  44          3HD1      ILE  44   3.341   2.543   6.537
  305   HD12  ILE  44          1HD1      ILE  44   1.907   1.675   7.079
  306   HD13  ILE  44          2HD1      ILE  44   3.361   1.690   8.079
  307    H    ALA  45           H        ALA  45   6.988  -1.213   3.761
  308    HA   ALA  45           HA       ALA  45   9.247  -2.234   5.211
  309    HB1  ALA  45           1HB      ALA  45  10.361  -2.325   3.069
  310    HB2  ALA  45           2HB      ALA  45   8.726  -2.967   2.917
  311    HB3  ALA  45           3HB      ALA  45   9.092  -1.342   2.334
  312    H    HIS  46           H        HIS  46   8.570   0.753   3.399
  313    HA   HIS  46           HA       HIS  46  10.028   2.338   5.241
  314    HB2  HIS  46           2HB      HIS  46  11.827   3.121   3.806
  315    HB3  HIS  46           3HB      HIS  46  11.953   1.374   4.021
  316    HD1  HIS  46           1HD      HIS  46  11.334   3.976   1.409
  317    HD2  HIS  46           2HD      HIS  46  11.499  -0.168   1.716
  318    HE1  HIS  46           1HE      HIS  46  11.469   3.123  -0.955
  319    HE2  HIS  46           2HE      HIS  46  11.799   0.631  -0.719
  320    H    MET  47           H        MET  47  10.055   4.616   4.629
  321    HA   MET  47           HA       MET  47   7.689   5.404   3.195
  322    HB2  MET  47           2HB      MET  47  10.006   7.006   4.326
  323    HB3  MET  47           3HB      MET  47   8.553   7.721   3.610
  324    HG2  MET  47           2HG      MET  47   8.556   5.921   6.034
  325    HG3  MET  47           3HG      MET  47   8.551   7.685   6.085
  326    HE1  MET  47           3HE      MET  47   6.553   9.185   5.048
  327    HE2  MET  47           1HE      MET  47   6.676   8.305   3.525
  328    HE3  MET  47           2HE      MET  47   5.110   8.486   4.314
  329    H    GLY  48           H        GLY  48   7.628   6.497   1.206
  330    HA2  GLY  48           2HA      GLY  48   8.686   7.411  -0.741
  331    HA3  GLY  48           3HA      GLY  48  10.138   6.487  -0.321
  332    H    GLU  49           H        GLU  49   8.522   6.615  -2.791
  333    HA   GLU  49           HA       GLU  49   7.082   4.209  -3.124
  334    HB2  GLU  49           2HB      GLU  49   7.270   4.719  -5.544
  335    HB3  GLU  49           3HB      GLU  49   6.708   6.095  -4.581
  336    HG2  GLU  49           2HG      GLU  49   9.155   6.854  -4.556
  337    HG3  GLU  49           3HG      GLU  49   9.385   5.681  -5.860
  338    HE2  GLU  49           HE       GLU  49   7.298   7.619  -7.998
  339    H    CYS  50           H        CYS  50   7.670   2.297  -4.226
  340    HA   CYS  50           HA       CYS  50  10.503   1.645  -3.947
  341    HB2  CYS  50           1HB      CYS  50   7.997   0.236  -3.533
  342    HB3  CYS  50           2HB      CYS  50   9.136  -0.711  -4.495
  Start of MODEL    8
    1    H1   ALA   1           1H       ALA   1 -13.785  -7.700  -2.148
    2    H2   ALA   1           2H       ALA   1 -13.247  -6.135  -1.756
    3    H3   ALA   1           3H       ALA   1 -12.841  -7.445  -0.761
    4    HA   ALA   1           HA       ALA   1 -11.987  -7.149  -3.579
    5    HB1  ALA   1           2HB      ALA   1 -10.968  -5.420  -2.204
    6    HB2  ALA   1           3HB      ALA   1 -10.411  -6.641  -1.059
    7    HB3  ALA   1           1HB      ALA   1  -9.773  -6.616  -2.703
    8    H    GLU   2           H        GLU   2 -10.743  -8.558  -0.550
    9    HA   GLU   2           HA       GLU   2 -10.119 -10.634   0.048
   10    HB2  GLU   2           2HB      GLU   2 -11.888 -11.345  -2.271
   11    HB3  GLU   2           3HB      GLU   2 -10.921 -12.589  -1.464
   12    HG2  GLU   2           2HG      GLU   2 -13.242 -12.463  -0.637
   13    HG3  GLU   2           3HG      GLU   2 -12.024 -12.196   0.618
   14    HE2  GLU   2           HE       GLU   2 -14.351  -9.144  -0.393
   15    H    ASP   3           H        ASP   3  -9.987 -10.818  -3.526
   16    HA   ASP   3           HA       ASP   3  -7.107 -11.334  -3.219
   17    HB2  ASP   3           2HB      ASP   3  -9.176 -12.614  -4.967
   18    HB3  ASP   3           3HB      ASP   3  -7.514 -12.502  -5.542
   19    HD2  ASP   3           HD       ASP   3  -6.472 -15.042  -3.471
   20    H    CYS   4           H        CYS   4  -6.121  -9.524  -3.776
   21    HA   CYS   4           HA       CYS   4  -6.221  -8.842  -6.570
   22    HB2  CYS   4           2HB      CYS   4  -6.497  -6.495  -6.340
   23    HB3  CYS   4           3HB      CYS   4  -7.850  -7.255  -5.487
   24    H    VAL   5           H        VAL   5  -4.141  -8.663  -7.259
   25    HA   VAL   5           HA       VAL   5  -2.151  -8.730  -5.119
   26    HB   VAL   5           HB       VAL   5  -1.957  -9.625  -8.000
   27   HG11  VAL   5          1HG1      VAL   5   0.042  -9.891  -5.763
   28   HG12  VAL   5          2HG1      VAL   5   0.193 -10.595  -7.374
   29   HG13  VAL   5          3HG1      VAL   5   0.190  -8.843  -7.175
   30   HG21  VAL   5          3HG2      VAL   5  -1.866 -11.891  -7.037
   31   HG22  VAL   5          1HG2      VAL   5  -2.147 -11.204  -5.437
   32   HG23  VAL   5          2HG2      VAL   5  -3.388 -11.075  -6.683
   33    H    GLY   6           H        GLY   6  -0.871  -7.086  -4.783
   34    HA2  GLY   6           2HA      GLY   6   0.910  -5.713  -5.797
   35    HA3  GLY   6           3HA      GLY   6  -0.277  -5.268  -7.033
   36    H    ARG   7           H        ARG   7  -1.061  -3.321  -6.783
   37    HA   ARG   7           HA       ARG   7  -1.813  -2.501  -4.068
   38    HB2  ARG   7           2HB      ARG   7  -1.119  -0.237  -4.460
   39    HB3  ARG   7           3HB      ARG   7   0.251  -1.302  -4.806
   40    HG2  ARG   7           2HG      ARG   7  -0.105  -1.089  -7.182
   41    HG3  ARG   7           3HG      ARG   7  -1.573  -0.135  -6.896
   42    HD2  ARG   7           2HD      ARG   7  -0.136   1.532  -5.673
   43    HD3  ARG   7           3HD      ARG   7   1.267   0.630  -6.262
   44    HE   ARG   7           HE       ARG   7  -0.640   1.543  -8.269
   45   HH11  ARG   7          2HH1      ARG   7   2.405   1.999  -6.624
   46   HH12  ARG   7          1HH1      ARG   7   3.039   3.106  -7.809
   47   HH21  ARG   7          2HH2      ARG   7   0.165   3.012  -9.831
   48   HH22  ARG   7          1HH2      ARG   7   1.750   3.699  -9.634
   49    H    LYS   8           H        LYS   8  -3.906  -1.893  -3.922
   50    HA   LYS   8           HA       LYS   8  -5.252  -1.166  -6.393
   51    HB2  LYS   8           2HB      LYS   8  -6.266  -2.847  -4.802
   52    HB3  LYS   8           3HB      LYS   8  -6.488  -1.508  -3.663
   53    HG2  LYS   8           2HG      LYS   8  -8.511  -2.120  -4.998
   54    HG3  LYS   8           3HG      LYS   8  -8.024  -0.420  -5.090
   55    HD2  LYS   8           2HD      LYS   8  -8.657  -1.275  -7.294
   56    HD3  LYS   8           3HD      LYS   8  -6.943  -0.827  -7.242
   57    HE2  LYS   8           2HE      LYS   8  -7.077  -2.887  -8.426
   58    HE3  LYS   8           3HE      LYS   8  -6.424  -3.252  -6.823
   59    HZ1  LYS   8           3HZ      LYS   8  -8.107  -4.852  -7.508
   60    HZ2  LYS   8           1HZ      LYS   8  -9.259  -3.613  -7.643
   61    HZ3  LYS   8           2HZ      LYS   8  -8.608  -4.004  -6.124
   62    H    ALA   9           H        ALA   9  -5.717   0.966  -6.818
   63    HA   ALA   9           HA       ALA   9  -4.050   2.717  -5.285
   64    HB1  ALA   9           1HB      ALA   9  -5.715   3.329  -7.714
   65    HB2  ALA   9           2HB      ALA   9  -4.420   4.326  -7.050
   66    HB3  ALA   9           3HB      ALA   9  -4.053   2.736  -7.726
   67    H    CYS  10           H        CYS  10  -4.562   4.052  -3.769
   68    HA   CYS  10           HA       CYS  10  -7.270   5.217  -3.676
   69    HB2  CYS  10           2HB      CYS  10  -6.863   3.866  -1.701
   70    HB3  CYS  10           3HB      CYS  10  -5.303   4.661  -1.431
   71    H    THR  11           H        THR  11  -7.318   7.544  -3.326
   72    HA   THR  11           HA       THR  11  -4.783   8.945  -3.331
   73    HB   THR  11           HB       THR  11  -6.648   9.366  -5.670
   74    HG1  THR  11           1HG      THR  11  -4.541   7.560  -5.291
   75   HG21  THR  11          3HG2      THR  11  -5.249  11.270  -5.083
   76   HG22  THR  11          1HG2      THR  11  -4.711  10.556  -6.603
   77   HG23  THR  11          2HG2      THR  11  -3.815  10.244  -5.115
   78    H    ARG  12           H        ARG  12  -5.878   9.599  -1.314
   79    HA   ARG  12           HA       ARG  12  -7.533  11.978  -1.842
   80    HB2  ARG  12           2HB      ARG  12  -8.202  11.881   0.543
   81    HB3  ARG  12           3HB      ARG  12  -8.687  10.441  -0.361
   82    HG2  ARG  12           2HG      ARG  12  -6.793   9.199   0.563
   83    HG3  ARG  12           3HG      ARG  12  -6.302  10.643   1.466
   84    HD2  ARG  12           2HD      ARG  12  -8.430  10.621   2.685
   85    HD3  ARG  12           3HD      ARG  12  -8.918   9.182   1.775
   86    HE   ARG  12           HE       ARG  12  -6.489   8.586   2.985
   87   HH11  ARG  12          2HH1      ARG  12  -9.720   9.468   4.013
   88   HH12  ARG  12          1HH1      ARG  12  -9.653   8.502   5.458
   89   HH21  ARG  12          2HH2      ARG  12  -6.401   7.325   4.889
   90   HH22  ARG  12          1HH2      ARG  12  -7.777   7.278   5.955
   91    H    GLU  13           H        GLU  13  -4.640  10.709  -0.446
   92    HA   GLU  13           HA       GLU  13  -3.467  13.360  -0.283
   93    HB2  GLU  13           2HB      GLU  13  -4.387  12.923   1.980
   94    HB3  GLU  13           3HB      GLU  13  -3.487  11.400   2.041
   95    HG2  GLU  13           2HG      GLU  13  -2.430  13.197   3.343
   96    HG3  GLU  13           3HG      GLU  13  -1.396  12.566   2.051
   97    HE2  GLU  13           HE       GLU  13  -2.611  16.319   1.810
   98    H    TRP  14           H        TRP  14  -1.038  13.145  -0.191
   99    HA   TRP  14           HA       TRP  14  -0.244  10.496  -1.221
  100    HB2  TRP  14           2HB      TRP  14  -0.204  12.239  -2.968
  101    HB3  TRP  14           3HB      TRP  14   0.907  13.193  -1.986
  102    HD1  TRP  14           1HD      TRP  14   3.465  12.537  -2.009
  103    HE1  TRP  14           1HE      TRP  14   4.854  10.882  -3.414
  104    HE3  TRP  14           3HE      TRP  14  -0.352   9.878  -4.130
  105    HZ2  TRP  14           2HZ      TRP  14   4.387   8.744  -5.193
  106    HZ3  TRP  14           3HZ      TRP  14   0.205   8.045  -5.672
  107    HH2  TRP  14           2HH      TRP  14   2.528   7.489  -6.193
  108    H    TYR  15           H        TYR  15   0.411   9.703   0.763
  109    HA   TYR  15           HA       TYR  15   3.079  10.671   1.487
  110    HB2  TYR  15           2HB      TYR  15   1.092   9.226   3.277
  111    HB3  TYR  15           3HB      TYR  15   2.781   9.524   3.693
  112    HD1  TYR  15           1HD      TYR  15   3.508  12.085   3.497
  113    HD2  TYR  15           2HD      TYR  15  -0.467  10.704   4.115
  114    HE1  TYR  15           1HE      TYR  15   2.910  14.262   4.471
  115    HE2  TYR  15           2HE      TYR  15  -1.079  12.877   5.085
  116    HH   TYR  15           HH       TYR  15   0.763  15.625   4.747
  117    HA   PRO  16           HA       PRO  16   3.231   6.747  -0.603
  118    HB2  PRO  16           2HB      PRO  16   5.626   7.021  -1.787
  119    HB3  PRO  16           3HB      PRO  16   4.217   7.947  -2.301
  120    HG2  PRO  16           2HG      PRO  16   6.491   8.769  -0.538
  121    HG3  PRO  16           3HG      PRO  16   5.692   9.680  -1.873
  122    HD2  PRO  16           2HD      PRO  16   5.174  10.035   0.827
  123    HD3  PRO  16           3HD      PRO  16   4.051  10.440  -0.484
  124    H    VAL  17           H        VAL  17   3.907   4.791   0.021
  125    HA   VAL  17           HA       VAL  17   6.370   4.548   1.590
  126    HB   VAL  17           HB       VAL  17   5.438   3.104   3.243
  127   HG11  VAL  17          1HG1      VAL  17   3.838   4.549   4.416
  128   HG12  VAL  17          2HG1      VAL  17   5.215   5.444   3.777
  129   HG13  VAL  17          3HG1      VAL  17   3.658   5.513   2.951
  130   HG21  VAL  17          3HG2      VAL  17   2.774   3.339   1.853
  131   HG22  VAL  17          1HG2      VAL  17   3.823   1.920   1.854
  132   HG23  VAL  17          2HG2      VAL  17   3.090   2.474   3.361
  133    H    CYS  18           H        CYS  18   6.903   2.111   1.832
  134    HA   CYS  18           HA       CYS  18   6.152   0.781  -0.687
  135    HB2  CYS  18           2HB      CYS  18   8.474   1.347  -0.757
  136    HB3  CYS  18           3HB      CYS  18   8.742   0.669   0.861
  137    H    GLY  19           H        GLY  19   5.168  -1.109  -0.560
  138    HA2  GLY  19           2HA      GLY  19   4.836  -2.425   2.019
  139    HA3  GLY  19           3HA      GLY  19   4.125  -2.922   0.474
  140    H    SER  20           H        SER  20   5.679  -4.408   2.558
  141    HA   SER  20           HA       SER  20   8.327  -4.798   1.810
  142    HB2  SER  20           2HB      SER  20   7.127  -5.445   3.986
  143    HB3  SER  20           3HB      SER  20   6.697  -6.941   3.139
  144    HG   SER  20           HG       SER  20   8.693  -7.624   3.286
  145    H    ASP  21           H        ASP  21   5.567  -5.909   0.179
  146    HA   ASP  21           HA       ASP  21   6.765  -8.202  -1.051
  147    HB2  ASP  21           2HB      ASP  21   4.277  -7.740  -0.903
  148    HB3  ASP  21           3HB      ASP  21   4.509  -6.496  -2.139
  149    HD2  ASP  21           HD       ASP  21   4.560  -8.828  -4.656
  150    H    GLY  22           H        GLY  22   7.368  -4.949  -1.203
  151    HA2  GLY  22           2HA      GLY  22   9.028  -3.902  -2.489
  152    HA3  GLY  22           3HA      GLY  22   8.884  -5.196  -3.685
  153    H    VAL  23           H        VAL  23   6.051  -3.631  -2.392
  154    HA   VAL  23           HA       VAL  23   5.561  -2.596  -5.099
  155    HB   VAL  23           HB       VAL  23   3.941  -4.218  -4.555
  156   HG11  VAL  23          1HG1      VAL  23   4.304  -4.400  -2.190
  157   HG12  VAL  23          2HG1      VAL  23   3.579  -2.813  -1.923
  158   HG13  VAL  23          3HG1      VAL  23   2.585  -4.150  -2.502
  159   HG21  VAL  23          3HG2      VAL  23   2.976  -2.251  -5.606
  160   HG22  VAL  23          1HG2      VAL  23   1.825  -2.957  -4.469
  161   HG23  VAL  23          2HG2      VAL  23   2.726  -1.505  -4.027
  162    H    THR  24           H        THR  24   5.030  -0.519  -5.454
  163    HA   THR  24           HA       THR  24   5.662   1.411  -3.410
  164    HB   THR  24           HB       THR  24   4.684   1.926  -6.223
  165    HG1  THR  24           1HG      THR  24   7.432   1.921  -5.789
  166   HG21  THR  24          3HG2      THR  24   5.976   3.964  -6.050
  167   HG22  THR  24          1HG2      THR  24   6.543   3.502  -4.447
  168   HG23  THR  24          2HG2      THR  24   4.836   3.863  -4.706
  169    H    TYR  25           H        TYR  25   4.120   2.138  -2.042
  170    HA   TYR  25           HA       TYR  25   1.348   2.065  -2.939
  171    HB2  TYR  25           2HB      TYR  25   2.658   2.101  -0.235
  172    HB3  TYR  25           3HB      TYR  25   0.953   2.463  -0.440
  173    HD1  TYR  25           2HD      TYR  25  -0.394   0.736  -1.909
  174    HD2  TYR  25           1HD      TYR  25   3.240  -0.119   0.115
  175    HE1  TYR  25           2HE      TYR  25  -0.913  -1.660  -2.015
  176    HE2  TYR  25           1HE      TYR  25   2.736  -2.519   0.012
  177    HH   TYR  25           HH       TYR  25   0.241  -3.797  -1.940
  178    H    SER  26           H        SER  26   0.144   3.763  -3.149
  179    HA   SER  26           HA       SER  26   1.308   6.262  -3.639
  180    HB2  SER  26           2HB      SER  26  -1.599   5.444  -3.337
  181    HB3  SER  26           3HB      SER  26  -1.047   6.973  -4.036
  182    HG   SER  26           HG       SER  26  -1.158   4.492  -5.166
  183    H    ASN  27           H        ASN  27  -0.246   4.962  -0.795
  184    HA   ASN  27           HA       ASN  27   0.534   7.059   0.889
  185    HB2  ASN  27           2HB      ASN  27  -1.752   7.992   1.410
  186    HB3  ASN  27           3HB      ASN  27  -1.098   8.453  -0.166
  187   HD21  ASN  27          1HD2      ASN  27  -2.978   8.846  -1.177
  188   HD22  ASN  27          2HD2      ASN  27  -4.151   7.623  -1.542
  189    HA   PRO  28           HA       PRO  28  -0.513   4.243   4.164
  190    HB2  PRO  28           2HB      PRO  28  -2.343   5.747   5.721
  191    HB3  PRO  28           3HB      PRO  28  -0.591   5.688   5.908
  192    HG2  PRO  28           2HG      PRO  28  -2.291   7.672   4.467
  193    HG3  PRO  28           3HG      PRO  28  -0.793   7.934   5.435
  194    HD2  PRO  28           2HD      PRO  28  -0.757   8.036   2.754
  195    HD3  PRO  28           3HD      PRO  28   0.571   7.298   3.667
  196    H    CYS  29           H        CYS  29  -3.294   6.039   2.910
  197    HA   CYS  29           HA       CYS  29  -5.338   4.256   3.492
  198    HB2  CYS  29           2HB      CYS  29  -5.811   6.446   2.642
  199    HB3  CYS  29           3HB      CYS  29  -4.951   6.106   1.132
  200    H    ASN  30           H        ASN  30  -3.144   4.337   0.721
  201    HA   ASN  30           HA       ASN  30  -4.303   2.200  -0.700
  202    HB2  ASN  30           2HB      ASN  30  -2.684   4.011  -1.540
  203    HB3  ASN  30           3HB      ASN  30  -1.403   3.023  -0.829
  204   HD21  ASN  30          1HD2      ASN  30  -2.884   0.512  -1.546
  205   HD22  ASN  30          2HD2      ASN  30  -2.609   0.316  -3.242
  206    H    PHE  31           H        PHE  31  -1.546   2.390   1.569
  207    HA   PHE  31           HA       PHE  31  -0.863  -0.347   1.299
  208    HB2  PHE  31           1HB      PHE  31   0.747   1.268   2.171
  209    HB3  PHE  31           2HB      PHE  31  -0.280   1.568   3.575
  210    HD1  PHE  31           2HD      PHE  31  -0.475  -0.068   5.372
  211    HD2  PHE  31           1HD      PHE  31   2.115  -0.775   2.055
  212    HE1  PHE  31           2HE      PHE  31   0.653  -1.853   6.628
  213    HE2  PHE  31           1HE      PHE  31   3.246  -2.543   3.321
  214    HZ   PHE  31           HZ       PHE  31   2.515  -3.094   5.602
  215    H    SER  32           H        SER  32  -2.842   1.387   3.707
  216    HA   SER  32           HA       SER  32  -3.272  -0.871   5.338
  217    HB2  SER  32           2HB      SER  32  -3.605   1.506   6.047
  218    HB3  SER  32           3HB      SER  32  -5.077   1.540   5.062
  219    HG   SER  32           HG       SER  32  -5.926  -0.136   6.368
  220    H    ALA  33           H        ALA  33  -5.356   0.607   2.835
  221    HA   ALA  33           HA       ALA  33  -7.479  -1.238   3.217
  222    HB1  ALA  33           1HB      ALA  33  -7.842   0.974   2.257
  223    HB2  ALA  33           2HB      ALA  33  -6.893   0.520   0.840
  224    HB3  ALA  33           3HB      ALA  33  -8.421  -0.292   1.174
  225    H    GLN  34           H        GLN  34  -4.845  -1.041   0.887
  226    HA   GLN  34           HA       GLN  34  -5.626  -3.226  -0.709
  227    HB2  GLN  34           2HB      GLN  34  -4.099  -1.612  -1.547
  228    HB3  GLN  34           3HB      GLN  34  -2.983  -1.863  -0.207
  229    HG2  GLN  34           2HG      GLN  34  -2.133  -2.785  -2.278
  230    HG3  GLN  34           3HG      GLN  34  -2.399  -4.041  -1.060
  231   HE21  GLN  34          1HE2      GLN  34  -2.340  -5.443  -2.891
  232   HE22  GLN  34          2HE2      GLN  34  -3.780  -5.717  -3.767
  233    H    GLN  35           H        GLN  35  -3.770  -2.975   2.244
  234    HA   GLN  35           HA       GLN  35  -2.872  -5.695   2.198
  235    HB2  GLN  35           2HB      GLN  35  -2.617  -3.358   3.993
  236    HB3  GLN  35           3HB      GLN  35  -2.483  -4.947   4.760
  237    HG2  GLN  35           2HG      GLN  35  -0.316  -3.914   4.110
  238    HG3  GLN  35           3HG      GLN  35  -0.601  -5.526   3.445
  239   HE21  GLN  35          1HE2      GLN  35   1.152  -3.352   2.629
  240   HE22  GLN  35          2HE2      GLN  35   0.831  -3.134   0.945
  241    H    GLU  36           H        GLU  36  -5.306  -3.915   4.104
  242    HA   GLU  36           HA       GLU  36  -6.114  -6.175   5.598
  243    HB2  GLU  36           2HB      GLU  36  -8.086  -4.831   6.222
  244    HB3  GLU  36           3HB      GLU  36  -6.573  -3.933   6.397
  245    HG2  GLU  36           2HG      GLU  36  -7.004  -2.860   4.203
  246    HG3  GLU  36           3HG      GLU  36  -8.572  -3.676   4.168
  247    HE2  GLU  36           HE       GLU  36  -9.978  -1.240   6.110
  248    H    GLN  37           H        GLN  37  -6.950  -5.043   2.437
  249    HA   GLN  37           HA       GLN  37  -9.253  -6.806   2.269
  250    HB2  GLN  37           2HB      GLN  37  -8.170  -4.563   0.678
  251    HB3  GLN  37           3HB      GLN  37  -8.993  -5.833  -0.239
  252    HG2  GLN  37           2HG      GLN  37 -10.520  -4.033   0.282
  253    HG3  GLN  37           3HG      GLN  37 -11.001  -5.522   1.106
  254   HE21  GLN  37          1HE2      GLN  37  -9.719  -2.321   1.498
  255   HE22  GLN  37          2HE2      GLN  37  -9.940  -2.223   3.210
  256    H    CYS  38           H        CYS  38  -5.895  -6.718   1.144
  257    HA   CYS  38           HA       CYS  38  -6.438  -9.186  -0.355
  258    HB2  CYS  38           2HB      CYS  38  -4.954  -6.773  -1.371
  259    HB3  CYS  38           3HB      CYS  38  -4.976  -8.343  -2.188
  260    H    ASP  39           H        ASP  39  -3.651  -7.107   0.626
  261    HA   ASP  39           HA       ASP  39  -2.101  -9.607   0.891
  262    HB2  ASP  39           2HB      ASP  39  -1.241  -6.830   0.057
  263    HB3  ASP  39           3HB      ASP  39  -0.086  -8.077   0.547
  264    HD2  ASP  39           HD       ASP  39  -0.541  -9.866  -2.417
  265    HA   PRO  40           HA       PRO  40  -2.428  -7.466   5.049
  266    HB2  PRO  40           2HB      PRO  40  -3.143  -9.654   6.529
  267    HB3  PRO  40           3HB      PRO  40  -4.300  -8.650   5.661
  268    HG2  PRO  40           2HG      PRO  40  -3.069 -11.261   4.874
  269    HG3  PRO  40           3HG      PRO  40  -4.776 -10.707   4.713
  270    HD2  PRO  40           2HD      PRO  40  -2.993 -10.750   2.643
  271    HD3  PRO  40           3HD      PRO  40  -4.330  -9.593   2.763
  272    H    ASN  41           H        ASN  41  -0.580  -9.988   3.748
  273    HA   ASN  41           HA       ASN  41   0.713 -10.669   6.255
  274    HB2  ASN  41           2HB      ASN  41   1.135 -11.809   3.487
  275    HB3  ASN  41           3HB      ASN  41   1.786 -12.462   4.998
  276   HD21  ASN  41          1HD2      ASN  41   0.313 -13.294   6.567
  277   HD22  ASN  41          2HD2      ASN  41  -1.237 -13.898   6.079
  278    H    ILE  42           H        ILE  42   1.279  -8.364   3.877
  279    HA   ILE  42           HA       ILE  42   4.182  -8.556   4.160
  280    HB   ILE  42           HB       ILE  42   4.357  -6.705   2.601
  281   HG12  ILE  42          2HG1      ILE  42   1.347  -6.682   2.761
  282   HG13  ILE  42          3HG1      ILE  42   2.463  -5.359   3.137
  283   HG21  ILE  42          1HG2      ILE  42   3.239  -7.758   0.637
  284   HG22  ILE  42          2HG2      ILE  42   4.252  -8.843   1.595
  285   HG23  ILE  42          3HG2      ILE  42   2.496  -8.901   1.754
  286   HD11  ILE  42          3HD1      ILE  42   1.374  -4.986   1.006
  287   HD12  ILE  42          1HD1      ILE  42   3.111  -5.221   0.787
  288   HD13  ILE  42          2HD1      ILE  42   1.987  -6.526   0.403
  289    H    THR  43           H        THR  43   5.300  -6.392   4.486
  290    HA   THR  43           HA       THR  43   4.073  -4.967   6.754
  291    HB   THR  43           HB       THR  43   6.452  -4.833   7.668
  292    HG1  THR  43           1HG      THR  43   7.000  -7.171   6.184
  293   HG21  THR  43          3HG2      THR  43   5.103  -7.529   7.507
  294   HG22  THR  43          1HG2      THR  43   4.813  -6.278   8.712
  295   HG23  THR  43          2HG2      THR  43   6.370  -7.106   8.657
  296    H    ILE  44           H        ILE  44   5.257  -2.806   7.157
  297    HA   ILE  44           HA       ILE  44   5.595  -1.409   4.679
  298    HB   ILE  44           HB       ILE  44   6.284  -0.481   7.486
  299   HG12  ILE  44          2HG1      ILE  44   4.168   0.976   7.018
  300   HG13  ILE  44          3HG1      ILE  44   3.772  -0.289   5.843
  301   HG21  ILE  44          1HG2      ILE  44   6.023   1.076   4.919
  302   HG22  ILE  44          2HG2      ILE  44   6.240   1.783   6.519
  303   HG23  ILE  44          3HG2      ILE  44   7.507   0.774   5.821
  304   HD11  ILE  44          3HD1      ILE  44   2.668  -0.627   8.008
  305   HD12  ILE  44          1HD1      ILE  44   3.740  -1.958   7.579
  306   HD13  ILE  44          2HD1      ILE  44   4.249  -0.766   8.776
  307    H    ALA  45           H        ALA  45   7.371  -1.399   3.485
  308    HA   ALA  45           HA       ALA  45   9.765  -2.684   4.469
  309    HB1  ALA  45           1HB      ALA  45  10.571  -2.512   2.182
  310    HB2  ALA  45           2HB      ALA  45   8.928  -3.155   2.215
  311    HB3  ALA  45           3HB      ALA  45   9.209  -1.472   1.763
  312    H    HIS  46           H        HIS  46   8.888   0.516   3.215
  313    HA   HIS  46           HA       HIS  46  10.635   1.825   5.001
  314    HB2  HIS  46           2HB      HIS  46  12.219   2.828   3.471
  315    HB3  HIS  46           3HB      HIS  46  12.347   1.069   3.387
  316    HD1  HIS  46           1HD      HIS  46  11.091   4.009   1.374
  317    HD2  HIS  46           2HD      HIS  46  11.915  -0.041   0.907
  318    HE1  HIS  46           1HE      HIS  46  10.988   3.576  -1.098
  319    HE2  HIS  46           2HE      HIS  46  11.721   1.178  -1.369
  320    H    MET  47           H        MET  47  10.484   4.127   4.880
  321    HA   MET  47           HA       MET  47   7.939   5.022   3.911
  322    HB2  MET  47           2HB      MET  47  10.262   6.554   5.112
  323    HB3  MET  47           3HB      MET  47   8.679   7.252   4.744
  324    HG2  MET  47           2HG      MET  47   9.232   5.043   6.727
  325    HG3  MET  47           3HG      MET  47   8.886   6.733   7.106
  326    HE1  MET  47           3HE      MET  47   6.600   7.462   5.016
  327    HE2  MET  47           1HE      MET  47   5.159   7.110   5.970
  328    HE3  MET  47           2HE      MET  47   6.542   7.906   6.720
  329    H    GLY  48           H        GLY  48   7.711   6.847   2.406
  330    HA2  GLY  48           2HA      GLY  48   8.287   7.948   0.418
  331    HA3  GLY  48           3HA      GLY  48   9.869   7.155   0.487
  332    H    GLU  49           H        GLU  49   8.234   7.318  -1.838
  333    HA   GLU  49           HA       GLU  49   6.709   4.970  -2.189
  334    HB2  GLU  49           2HB      GLU  49   6.850   5.503  -4.622
  335    HB3  GLU  49           3HB      GLU  49   6.271   6.838  -3.616
  336    HG2  GLU  49           2HG      GLU  49   8.526   7.843  -3.685
  337    HG3  GLU  49           3HG      GLU  49   9.035   6.539  -4.767
  338    HE2  GLU  49           HE       GLU  49   7.136   9.577  -6.305
  339    H    CYS  50           H        CYS  50   7.230   2.999  -2.892
  340    HA   CYS  50           HA       CYS  50   9.828   2.054  -2.524
  341    HB2  CYS  50           1HB      CYS  50   7.474   0.864  -2.528
  342    HB3  CYS  50           2HB      CYS  50   7.936   0.487  -4.196
  Start of MODEL    9
    1    H1   ALA   1           1H       ALA   1 -13.360  -8.569  -1.502
    2    H2   ALA   1           2H       ALA   1 -13.236  -7.120  -2.377
    3    H3   ALA   1           3H       ALA   1 -12.365  -7.322  -0.935
    4    HA   ALA   1           HA       ALA   1 -11.971  -8.926  -3.392
    5    HB1  ALA   1           2HB      ALA   1 -11.249  -6.625  -3.756
    6    HB2  ALA   1           3HB      ALA   1 -10.282  -6.684  -2.282
    7    HB3  ALA   1           1HB      ALA   1  -9.857  -7.706  -3.658
    8    H    GLU   2           H        GLU   2 -10.870 -10.754  -3.065
    9    HA   GLU   2           HA       GLU   2  -9.413 -11.024  -0.521
   10    HB2  GLU   2           2HB      GLU   2 -10.797 -13.114  -2.209
   11    HB3  GLU   2           3HB      GLU   2  -9.711 -13.502  -0.865
   12    HG2  GLU   2           2HG      GLU   2 -11.155 -12.321   0.690
   13    HG3  GLU   2           3HG      GLU   2 -12.232 -11.878  -0.641
   14    HE2  GLU   2           HE       GLU   2 -12.353 -15.623   0.662
   15    H    ASP   3           H        ASP   3  -9.350 -11.561  -3.983
   16    HA   ASP   3           HA       ASP   3  -6.424 -11.852  -3.761
   17    HB2  ASP   3           2HB      ASP   3  -7.378 -13.915  -4.638
   18    HB3  ASP   3           3HB      ASP   3  -8.273 -13.007  -5.863
   19    HD2  ASP   3           HD       ASP   3  -5.474 -12.705  -7.900
   20    H    CYS   4           H        CYS   4  -5.599  -9.950  -4.195
   21    HA   CYS   4           HA       CYS   4  -5.929  -8.945  -6.874
   22    HB2  CYS   4           2HB      CYS   4  -6.411  -6.689  -6.307
   23    HB3  CYS   4           3HB      CYS   4  -7.618  -7.687  -5.483
   24    H    VAL   5           H        VAL   5  -4.057  -7.916  -7.581
   25    HA   VAL   5           HA       VAL   5  -1.902  -7.752  -5.599
   26    HB   VAL   5           HB       VAL   5  -1.611  -9.851  -6.784
   27   HG11  VAL   5          1HG1      VAL   5  -1.095  -9.881  -9.192
   28   HG12  VAL   5          2HG1      VAL   5  -2.748  -9.364  -8.852
   29   HG13  VAL   5          3HG1      VAL   5  -1.521  -8.172  -9.278
   30   HG21  VAL   5          3HG2      VAL   5   0.386  -8.715  -6.065
   31   HG22  VAL   5          1HG2      VAL   5   0.688  -9.498  -7.616
   32   HG23  VAL   5          2HG2      VAL   5   0.416  -7.758  -7.546
   33    H    GLY   6           H        GLY   6  -0.775  -5.931  -5.655
   34    HA2  GLY   6           2HA      GLY   6   0.496  -4.408  -7.192
   35    HA3  GLY   6           3HA      GLY   6  -1.051  -4.212  -8.030
   36    H    ARG   7           H        ARG   7  -2.110  -2.445  -7.538
   37    HA   ARG   7           HA       ARG   7  -1.915  -1.441  -4.782
   38    HB2  ARG   7           2HB      ARG   7  -1.853   0.866  -5.630
   39    HB3  ARG   7           3HB      ARG   7  -0.457  -0.069  -6.184
   40    HG2  ARG   7           2HG      ARG   7  -1.674  -0.451  -8.350
   41    HG3  ARG   7           3HG      ARG   7  -2.887   0.709  -7.779
   42    HD2  ARG   7           2HD      ARG   7   0.064   1.297  -8.106
   43    HD3  ARG   7           3HD      ARG   7  -1.201   1.726  -9.266
   44    HE   ARG   7           HE       ARG   7  -1.394   2.757  -6.532
   45   HH11  ARG   7          2HH1      ARG   7  -0.893   3.318  -9.953
   46   HH12  ARG   7          1HH1      ARG   7  -0.955   5.051  -9.807
   47   HH21  ARG   7          2HH2      ARG   7  -1.497   5.049  -6.346
   48   HH22  ARG   7          1HH2      ARG   7  -1.343   6.031  -7.774
   49    H    LYS   8           H        LYS   8  -3.812  -0.884  -3.872
   50    HA   LYS   8           HA       LYS   8  -6.158  -0.587  -5.595
   51    HB2  LYS   8           2HB      LYS   8  -5.806  -0.913  -2.617
   52    HB3  LYS   8           3HB      LYS   8  -7.331  -0.327  -3.299
   53    HG2  LYS   8           2HG      LYS   8  -6.006  -2.975  -3.906
   54    HG3  LYS   8           3HG      LYS   8  -7.449  -2.711  -2.909
   55    HD2  LYS   8           2HD      LYS   8  -8.695  -1.895  -4.808
   56    HD3  LYS   8           3HD      LYS   8  -7.242  -1.965  -5.822
   57    HE2  LYS   8           2HE      LYS   8  -7.167  -4.427  -5.490
   58    HE3  LYS   8           3HE      LYS   8  -8.680  -4.308  -4.577
   59    HZ1  LYS   8           3HZ      LYS   8  -9.813  -3.513  -6.510
   60    HZ2  LYS   8           1HZ      LYS   8  -8.979  -4.927  -6.942
   61    HZ3  LYS   8           2HZ      LYS   8  -8.372  -3.408  -7.390
   62    H    ALA   9           H        ALA   9  -6.983   1.394  -6.059
   63    HA   ALA   9           HA       ALA   9  -5.012   3.437  -5.695
   64    HB1  ALA   9           1HB      ALA   9  -6.092   3.034  -7.851
   65    HB2  ALA   9           2HB      ALA   9  -7.631   3.572  -7.173
   66    HB3  ALA   9           3HB      ALA   9  -6.284   4.704  -7.312
   67    H    CYS  10           H        CYS  10  -4.920   4.710  -4.046
   68    HA   CYS  10           HA       CYS  10  -7.342   6.232  -3.352
   69    HB2  CYS  10           2HB      CYS  10  -4.987   5.562  -1.552
   70    HB3  CYS  10           3HB      CYS  10  -6.345   6.603  -1.103
   71    H    THR  11           H        THR  11  -6.978   8.516  -3.271
   72    HA   THR  11           HA       THR  11  -4.297   9.530  -3.666
   73    HB   THR  11           HB       THR  11  -6.340  10.232  -5.778
   74    HG1  THR  11           1HG      THR  11  -4.694   7.981  -5.567
   75   HG21  THR  11          3HG2      THR  11  -4.356  10.938  -7.019
   76   HG22  THR  11          1HG2      THR  11  -3.327  10.410  -5.690
   77   HG23  THR  11          2HG2      THR  11  -4.444  11.755  -5.458
   78    H    ARG  12           H        ARG  12  -6.471   9.707  -1.757
   79    HA   ARG  12           HA       ARG  12  -7.465  12.417  -1.876
   80    HB2  ARG  12           2HB      ARG  12  -8.479  11.920   0.268
   81    HB3  ARG  12           3HB      ARG  12  -8.732  10.541  -0.814
   82    HG2  ARG  12           2HG      ARG  12  -6.781   9.405   0.234
   83    HG3  ARG  12           3HG      ARG  12  -6.683  10.745   1.390
   84    HD2  ARG  12           2HD      ARG  12  -9.106  10.233   1.975
   85    HD3  ARG  12           3HD      ARG  12  -8.899   8.742   1.047
   86    HE   ARG  12           HE       ARG  12  -6.803   8.791   2.844
   87   HH11  ARG  12          2HH1      ARG  12 -10.297   8.675   2.919
   88   HH12  ARG  12          1HH1      ARG  12 -10.382   7.992   4.519
   89   HH21  ARG  12          2HH2      ARG  12  -6.889   7.925   4.987
   90   HH22  ARG  12          1HH2      ARG  12  -8.437   7.585   5.699
   91    H    GLU  13           H        GLU  13  -4.537  11.151  -1.321
   92    HA   GLU  13           HA       GLU  13  -3.406  13.210   0.258
   93    HB2  GLU  13           2HB      GLU  13  -4.794  12.009   1.956
   94    HB3  GLU  13           3HB      GLU  13  -3.876  10.538   1.599
   95    HG2  GLU  13           2HG      GLU  13  -1.831  11.616   2.406
   96    HG3  GLU  13           3HG      GLU  13  -2.778  13.061   2.796
   97    HE2  GLU  13           HE       GLU  13  -3.438   9.840   5.040
   98    H    TRP  14           H        TRP  14  -1.061  12.877   0.358
   99    HA   TRP  14           HA       TRP  14  -0.198  10.419  -1.012
  100    HB2  TRP  14           2HB      TRP  14  -0.180  12.378  -2.570
  101    HB3  TRP  14           3HB      TRP  14   1.001  13.151  -1.512
  102    HD1  TRP  14           1HD      TRP  14   3.509  12.475  -1.768
  103    HE1  TRP  14           1HE      TRP  14   4.784  10.866  -3.328
  104    HE3  TRP  14           3HE      TRP  14  -0.471  10.013  -3.828
  105    HZ2  TRP  14           2HZ      TRP  14   4.180   8.829  -5.179
  106    HZ3  TRP  14           3HZ      TRP  14  -0.036   8.243  -5.479
  107    HH2  TRP  14           2HH      TRP  14   2.243   7.666  -6.140
  108    H    TYR  15           H        TYR  15   0.447   9.469   0.900
  109    HA   TYR  15           HA       TYR  15   3.079  10.434   1.741
  110    HB2  TYR  15           2HB      TYR  15   1.103   8.808   3.382
  111    HB3  TYR  15           3HB      TYR  15   2.782   9.093   3.839
  112    HD1  TYR  15           1HD      TYR  15   3.511  11.591   4.047
  113    HD2  TYR  15           2HD      TYR  15  -0.521  10.258   4.163
  114    HE1  TYR  15           1HE      TYR  15   2.865  13.658   5.212
  115    HE2  TYR  15           2HE      TYR  15  -1.176  12.317   5.321
  116    HH   TYR  15           HH       TYR  15  -0.185  14.023   6.707
  117    HA   PRO  16           HA       PRO  16   3.331   6.666  -0.619
  118    HB2  PRO  16           2HB      PRO  16   5.769   7.046  -1.716
  119    HB3  PRO  16           3HB      PRO  16   4.348   7.950  -2.238
  120    HG2  PRO  16           2HG      PRO  16   6.571   8.770  -0.411
  121    HG3  PRO  16           3HG      PRO  16   5.727   9.724  -1.687
  122    HD2  PRO  16           2HD      PRO  16   5.221   9.868   1.054
  123    HD3  PRO  16           3HD      PRO  16   4.107  10.377  -0.225
  124    H    VAL  17           H        VAL  17   4.026   4.694  -0.055
  125    HA   VAL  17           HA       VAL  17   6.419   4.416   1.597
  126    HB   VAL  17           HB       VAL  17   5.359   2.897   3.177
  127   HG11  VAL  17          1HG1      VAL  17   5.460   5.223   3.821
  128   HG12  VAL  17          2HG1      VAL  17   3.919   5.538   3.024
  129   HG13  VAL  17          3HG1      VAL  17   3.979   4.489   4.440
  130   HG21  VAL  17          3HG2      VAL  17   2.942   2.594   3.283
  131   HG22  VAL  17          1HG2      VAL  17   2.747   3.558   1.819
  132   HG23  VAL  17          2HG2      VAL  17   3.591   2.011   1.752
  133    H    CYS  18           H        CYS  18   6.756   1.935   1.939
  134    HA   CYS  18           HA       CYS  18   6.139   0.591  -0.603
  135    HB2  CYS  18           2HB      CYS  18   8.452   1.273  -0.585
  136    HB3  CYS  18           3HB      CYS  18   8.700   0.522   1.001
  137    H    GLY  19           H        GLY  19   5.170  -1.292  -0.438
  138    HA2  GLY  19           2HA      GLY  19   4.752  -2.512   2.170
  139    HA3  GLY  19           3HA      GLY  19   4.119  -3.080   0.618
  140    H    SER  20           H        SER  20   5.498  -4.556   2.781
  141    HA   SER  20           HA       SER  20   8.194  -4.974   2.277
  142    HB2  SER  20           2HB      SER  20   6.892  -5.648   4.331
  143    HB3  SER  20           3HB      SER  20   6.330  -7.054   3.412
  144    HG   SER  20           HG       SER  20   8.184  -7.991   3.728
  145    H    ASP  21           H        ASP  21   5.558  -6.038   0.405
  146    HA   ASP  21           HA       ASP  21   6.832  -8.295  -0.813
  147    HB2  ASP  21           2HB      ASP  21   4.381  -7.989  -0.851
  148    HB3  ASP  21           3HB      ASP  21   4.584  -6.532  -1.834
  149    HD2  ASP  21           HD       ASP  21   4.722  -8.377  -4.720
  150    H    GLY  22           H        GLY  22   7.478  -5.051  -0.862
  151    HA2  GLY  22           2HA      GLY  22   9.149  -3.941  -2.068
  152    HA3  GLY  22           3HA      GLY  22   9.109  -5.241  -3.268
  153    H    VAL  23           H        VAL  23   6.214  -3.694  -2.097
  154    HA   VAL  23           HA       VAL  23   5.760  -2.746  -4.846
  155    HB   VAL  23           HB       VAL  23   4.194  -4.438  -4.250
  156   HG11  VAL  23          1HG1      VAL  23   3.604  -2.835  -1.774
  157   HG12  VAL  23          2HG1      VAL  23   2.711  -4.261  -2.302
  158   HG13  VAL  23          3HG1      VAL  23   4.409  -4.400  -1.855
  159   HG21  VAL  23          3HG2      VAL  23   2.833  -1.758  -4.008
  160   HG22  VAL  23          1HG2      VAL  23   3.268  -2.567  -5.513
  161   HG23  VAL  23          2HG2      VAL  23   2.055  -3.279  -4.450
  162    H    THR  24           H        THR  24   5.096  -0.679  -5.252
  163    HA   THR  24           HA       THR  24   5.620   1.284  -3.202
  164    HB   THR  24           HB       THR  24   4.731   1.628  -6.073
  165    HG1  THR  24           1HG      THR  24   6.789   0.617  -5.815
  166   HG21  THR  24          3HG2      THR  24   5.898   3.634  -4.142
  167   HG22  THR  24          1HG2      THR  24   4.229   3.594  -4.712
  168   HG23  THR  24          2HG2      THR  24   5.541   3.927  -5.845
  169    H    TYR  25           H        TYR  25   4.119   2.110  -1.901
  170    HA   TYR  25           HA       TYR  25   1.326   2.000  -2.763
  171    HB2  TYR  25           2HB      TYR  25   2.645   1.908  -0.068
  172    HB3  TYR  25           3HB      TYR  25   0.949   2.314  -0.245
  173    HD1  TYR  25           1HD      TYR  25  -0.308   0.656  -1.999
  174    HD2  TYR  25           2HD      TYR  25   3.040  -0.324   0.419
  175    HE1  TYR  25           1HE      TYR  25  -0.896  -1.722  -2.177
  176    HE2  TYR  25           2HE      TYR  25   2.466  -2.706   0.254
  177    HH   TYR  25           HH       TYR  25   0.028  -3.999  -0.237
  178    H    SER  26           H        SER  26   0.101   3.719  -2.801
  179    HA   SER  26           HA       SER  26   1.359   6.212  -3.272
  180    HB2  SER  26           2HB      SER  26  -1.591   5.552  -3.031
  181    HB3  SER  26           3HB      SER  26  -0.888   6.958  -3.848
  182    HG   SER  26           HG       SER  26   0.327   4.955  -4.929
  183    H    ASN  27           H        ASN  27  -0.373   4.882  -0.534
  184    HA   ASN  27           HA       ASN  27   0.372   6.901   1.247
  185    HB2  ASN  27           2HB      ASN  27  -1.858   7.963   1.635
  186    HB3  ASN  27           3HB      ASN  27  -1.142   8.368   0.070
  187   HD21  ASN  27          1HD2      ASN  27  -3.017   8.875  -0.935
  188   HD22  ASN  27          2HD2      ASN  27  -4.230   7.703  -1.326
  189    HA   PRO  28           HA       PRO  28  -1.044   4.121   4.407
  190    HB2  PRO  28           2HB      PRO  28  -3.093   5.627   5.683
  191    HB3  PRO  28           3HB      PRO  28  -1.392   5.538   6.132
  192    HG2  PRO  28           2HG      PRO  28  -2.823   7.553   4.463
  193    HG3  PRO  28           3HG      PRO  28  -1.472   7.782   5.635
  194    HD2  PRO  28           2HD      PRO  28  -1.036   7.893   3.000
  195    HD3  PRO  28           3HD      PRO  28   0.116   7.087   4.080
  196    H    CYS  29           H        CYS  29  -3.752   5.849   2.859
  197    HA   CYS  29           HA       CYS  29  -5.779   3.988   3.256
  198    HB2  CYS  29           2HB      CYS  29  -6.160   6.213   2.321
  199    HB3  CYS  29           3HB      CYS  29  -5.283   5.764   0.849
  200    H    ASN  30           H        ASN  30  -3.492   4.259   0.586
  201    HA   ASN  30           HA       ASN  30  -4.412   2.058  -0.898
  202    HB2  ASN  30           2HB      ASN  30  -3.099   3.837  -1.877
  203    HB3  ASN  30           3HB      ASN  30  -1.731   3.456  -0.824
  204   HD21  ASN  30          1HD2      ASN  30  -3.559   0.876  -2.269
  205   HD22  ASN  30          2HD2      ASN  30  -2.350   0.433  -3.418
  206    H    PHE  31           H        PHE  31  -1.734   2.317   1.454
  207    HA   PHE  31           HA       PHE  31  -0.916  -0.376   1.230
  208    HB2  PHE  31           1HB      PHE  31   0.579   1.277   2.178
  209    HB3  PHE  31           2HB      PHE  31  -0.560   1.611   3.484
  210    HD1  PHE  31           1HD      PHE  31  -0.841   0.069   5.343
  211    HD2  PHE  31           2HD      PHE  31   2.003  -0.724   2.270
  212    HE1  PHE  31           1HE      PHE  31   0.252  -1.596   6.778
  213    HE2  PHE  31           2HE      PHE  31   3.094  -2.387   3.708
  214    HZ   PHE  31           HZ       PHE  31   2.219  -2.830   5.960
  215    H    SER  32           H        SER  32  -3.112   1.250   3.502
  216    HA   SER  32           HA       SER  32  -3.534  -0.988   5.154
  217    HB2  SER  32           2HB      SER  32  -4.054   1.261   5.912
  218    HB3  SER  32           3HB      SER  32  -5.284   1.426   4.649
  219    HG   SER  32           HG       SER  32  -6.145  -0.627   5.785
  220    H    ALA  33           H        ALA  33  -5.488   0.316   2.467
  221    HA   ALA  33           HA       ALA  33  -7.556  -1.597   2.748
  222    HB1  ALA  33           1HB      ALA  33  -6.830   0.062   0.334
  223    HB2  ALA  33           2HB      ALA  33  -8.355  -0.789   0.589
  224    HB3  ALA  33           3HB      ALA  33  -7.908   0.553   1.641
  225    H    GLN  34           H        GLN  34  -4.726  -1.405   0.634
  226    HA   GLN  34           HA       GLN  34  -5.338  -3.689  -0.898
  227    HB2  GLN  34           2HB      GLN  34  -3.722  -1.997  -1.619
  228    HB3  GLN  34           3HB      GLN  34  -2.649  -2.449  -0.287
  229    HG2  GLN  34           2HG      GLN  34  -1.872  -3.410  -2.369
  230    HG3  GLN  34           3HG      GLN  34  -2.380  -4.675  -1.242
  231   HE21  GLN  34          1HE2      GLN  34  -2.150  -4.869  -4.102
  232   HE22  GLN  34          2HE2      GLN  34  -3.720  -5.297  -4.680
  233    H    GLN  35           H        GLN  35  -3.616  -3.233   2.117
  234    HA   GLN  35           HA       GLN  35  -2.634  -5.907   2.243
  235    HB2  GLN  35           2HB      GLN  35  -2.616  -3.495   3.957
  236    HB3  GLN  35           3HB      GLN  35  -2.457  -5.047   4.790
  237    HG2  GLN  35           2HG      GLN  35  -0.309  -3.893   4.231
  238    HG3  GLN  35           3HG      GLN  35  -0.445  -5.559   3.666
  239   HE21  GLN  35          1HE2      GLN  35   1.183  -3.271   2.861
  240   HE22  GLN  35          2HE2      GLN  35   0.995  -3.178   1.150
  241    H    GLU  36           H        GLU  36  -5.282  -4.167   3.900
  242    HA   GLU  36           HA       GLU  36  -6.031  -6.382   5.485
  243    HB2  GLU  36           2HB      GLU  36  -8.052  -5.139   6.015
  244    HB3  GLU  36           3HB      GLU  36  -6.636  -4.076   6.062
  245    HG2  GLU  36           2HG      GLU  36  -7.213  -3.258   3.798
  246    HG3  GLU  36           3HG      GLU  36  -8.681  -4.246   3.864
  247    HE2  GLU  36           HE       GLU  36 -10.311  -1.955   5.842
  248    H    GLN  37           H        GLN  37  -6.795  -5.516   2.196
  249    HA   GLN  37           HA       GLN  37  -8.975  -7.453   2.108
  250    HB2  GLN  37           2HB      GLN  37  -7.831  -5.643  -0.022
  251    HB3  GLN  37           3HB      GLN  37  -9.229  -6.709  -0.241
  252    HG2  GLN  37           2HG      GLN  37 -10.532  -5.469   1.323
  253    HG3  GLN  37           3HG      GLN  37  -9.119  -4.528   1.826
  254   HE21  GLN  37          1HE2      GLN  37  -8.146  -4.312  -0.929
  255   HE22  GLN  37          2HE2      GLN  37  -9.149  -3.139  -1.701
  256    H    CYS  38           H        CYS  38  -5.618  -7.185   1.013
  257    HA   CYS  38           HA       CYS  38  -6.047  -9.721  -0.387
  258    HB2  CYS  38           2HB      CYS  38  -4.632  -7.282  -1.395
  259    HB3  CYS  38           3HB      CYS  38  -4.429  -8.880  -2.137
  260    H    ASP  39           H        ASP  39  -3.294  -7.686   0.814
  261    HA   ASP  39           HA       ASP  39  -2.165 -10.239   1.756
  262    HB2  ASP  39           2HB      ASP  39  -1.078  -9.358  -0.416
  263    HB3  ASP  39           3HB      ASP  39  -0.356  -8.123   0.626
  264    HD2  ASP  39           HD       ASP  39   1.261 -10.914   2.409
  265    HA   PRO  40           HA       PRO  40  -2.242  -7.247   5.215
  266    HB2  PRO  40           2HB      PRO  40  -2.822  -9.575   6.886
  267    HB3  PRO  40           3HB      PRO  40  -3.816  -8.156   6.559
  268    HG2  PRO  40           2HG      PRO  40  -4.358 -10.678   5.647
  269    HG3  PRO  40           3HG      PRO  40  -4.923  -9.171   4.836
  270    HD2  PRO  40           2HD      PRO  40  -2.655 -11.008   4.140
  271    HD3  PRO  40           3HD      PRO  40  -3.778 -10.139   3.077
  272    H    ASN  41           H        ASN  41  -0.320  -9.895   4.403
  273    HA   ASN  41           HA       ASN  41   0.862 -10.297   7.006
  274    HB2  ASN  41           2HB      ASN  41   1.755 -11.522   4.397
  275    HB3  ASN  41           3HB      ASN  41   2.007 -12.143   6.033
  276   HD21  ASN  41          1HD2      ASN  41  -0.196 -11.848   3.401
  277   HD22  ASN  41          2HD2      ASN  41  -1.409 -12.922   4.023
  278    H    ILE  42           H        ILE  42   1.532  -8.231   4.374
  279    HA   ILE  42           HA       ILE  42   4.396  -8.255   4.856
  280    HB   ILE  42           HB       ILE  42   4.684  -6.742   3.075
  281   HG12  ILE  42          2HG1      ILE  42   1.707  -6.254   3.169
  282   HG13  ILE  42          3HG1      ILE  42   2.972  -5.113   3.650
  283   HG21  ILE  42          1HG2      ILE  42   2.390  -8.549   2.347
  284   HG22  ILE  42          2HG2      ILE  42   3.492  -7.767   1.214
  285   HG23  ILE  42          3HG2      ILE  42   4.103  -8.980   2.340
  286   HD11  ILE  42          3HD1      ILE  42   3.781  -4.974   1.386
  287   HD12  ILE  42          1HD1      ILE  42   2.612  -6.190   0.867
  288   HD13  ILE  42          2HD1      ILE  42   2.055  -4.615   1.441
  289    H    THR  43           H        THR  43   5.580  -6.384   5.402
  290    HA   THR  43           HA       THR  43   4.151  -4.575   7.234
  291    HB   THR  43           HB       THR  43   6.490  -4.233   8.201
  292    HG1  THR  43           1HG      THR  43   7.302  -6.715   7.323
  293   HG21  THR  43          3HG2      THR  43   4.806  -5.573   9.344
  294   HG22  THR  43          1HG2      THR  43   6.403  -6.300   9.526
  295   HG23  THR  43          2HG2      THR  43   5.251  -6.979   8.377
  296    H    ILE  44           H        ILE  44   5.187  -2.338   7.383
  297    HA   ILE  44           HA       ILE  44   5.627  -1.247   4.787
  298    HB   ILE  44           HB       ILE  44   6.146  -0.008   7.507
  299   HG12  ILE  44          2HG1      ILE  44   4.082   1.388   6.721
  300   HG13  ILE  44          3HG1      ILE  44   3.777   0.007   5.657
  301   HG21  ILE  44          1HG2      ILE  44   7.504   1.085   5.834
  302   HG22  ILE  44          2HG2      ILE  44   6.104   1.274   4.778
  303   HG23  ILE  44          3HG2      ILE  44   6.178   2.147   6.310
  304   HD11  ILE  44          3HD1      ILE  44   3.992  -0.138   8.655
  305   HD12  ILE  44          1HD1      ILE  44   2.490  -0.130   7.729
  306   HD13  ILE  44          2HD1      ILE  44   3.620  -1.476   7.566
  307    H    ALA  45           H        ALA  45   7.427  -1.368   3.663
  308    HA   ALA  45           HA       ALA  45   9.842  -2.415   4.802
  309    HB1  ALA  45           1HB      ALA  45  10.718  -2.282   2.531
  310    HB2  ALA  45           2HB      ALA  45   9.107  -3.002   2.534
  311    HB3  ALA  45           3HB      ALA  45   9.323  -1.323   2.034
  312    H    HIS  46           H        HIS  46   8.893   0.633   3.300
  313    HA   HIS  46           HA       HIS  46  10.341   2.203   5.142
  314    HB2  HIS  46           2HB      HIS  46  12.011   3.200   3.704
  315    HB3  HIS  46           3HB      HIS  46  12.260   1.453   3.734
  316    HD1  HIS  46           1HD      HIS  46  11.283   4.241   1.441
  317    HD2  HIS  46           2HD      HIS  46  11.839   0.121   1.314
  318    HE1  HIS  46           1HE      HIS  46  11.300   3.634  -1.000
  319    HE2  HIS  46           2HE      HIS  46  11.905   1.185  -1.042
  320    H    MET  47           H        MET  47   9.984   4.479   4.791
  321    HA   MET  47           HA       MET  47   7.599   5.054   3.291
  322    HB2  MET  47           2HB      MET  47   8.229   6.150   5.473
  323    HB3  MET  47           3HB      MET  47   9.500   7.011   4.594
  324    HG2  MET  47           2HG      MET  47   7.889   8.157   3.234
  325    HG3  MET  47           3HG      MET  47   6.579   7.189   3.914
  326    HE1  MET  47           3HE      MET  47   6.421  10.347   3.809
  327    HE2  MET  47           1HE      MET  47   5.168   9.318   4.502
  328    HE3  MET  47           2HE      MET  47   5.787  10.692   5.417
  329    H    GLY  48           H        GLY  48   7.461   6.226   1.388
  330    HA2  GLY  48           2HA      GLY  48   8.518   7.420  -0.445
  331    HA3  GLY  48           3HA      GLY  48  10.010   6.545  -0.067
  332    H    GLU  49           H        GLU  49   8.956   6.579  -2.635
  333    HA   GLU  49           HA       GLU  49   7.267   4.304  -3.070
  334    HB2  GLU  49           2HB      GLU  49   7.667   4.786  -5.484
  335    HB3  GLU  49           3HB      GLU  49   7.048   6.160  -4.556
  336    HG2  GLU  49           2HG      GLU  49   9.433   6.964  -4.363
  337    HG3  GLU  49           3HG      GLU  49   9.843   5.725  -5.557
  338    HE2  GLU  49           HE       GLU  49   8.340   7.520  -8.137
  339    H    CYS  50           H        CYS  50   7.794   2.378  -4.177
  340    HA   CYS  50           HA       CYS  50  10.570   1.547  -3.725
  341    HB2  CYS  50           1HB      CYS  50   8.041   0.378  -3.104
  342    HB3  CYS  50           2HB      CYS  50   8.906  -0.696  -4.216
  Start of MODEL   10
    1    H1   ALA   1           1H       ALA   1 -13.290  -9.484  -1.243
    2    H2   ALA   1           2H       ALA   1 -13.491  -8.316  -2.457
    3    H3   ALA   1           3H       ALA   1 -12.426  -8.030  -1.172
    4    HA   ALA   1           HA       ALA   1 -12.122 -10.146  -3.217
    5    HB1  ALA   1           2HB      ALA   1 -10.257  -8.832  -4.062
    6    HB2  ALA   1           3HB      ALA   1 -11.749  -7.893  -4.125
    7    HB3  ALA   1           1HB      ALA   1 -10.566  -7.586  -2.855
    8    H    GLU   2           H        GLU   2 -10.744 -11.724  -2.675
    9    HA   GLU   2           HA       GLU   2  -9.021 -11.263  -0.334
   10    HB2  GLU   2           2HB      GLU   2  -8.845 -13.755  -0.180
   11    HB3  GLU   2           3HB      GLU   2 -10.467 -13.115   0.116
   12    HG2  GLU   2           2HG      GLU   2  -9.752 -14.058  -2.627
   13    HG3  GLU   2           3HG      GLU   2 -10.114 -15.237  -1.358
   14    HE2  GLU   2           HE       GLU   2 -13.481 -14.180  -1.222
   15    H    ASP   3           H        ASP   3  -9.102 -11.925  -3.713
   16    HA   ASP   3           HA       ASP   3  -6.157 -12.022  -3.659
   17    HB2  ASP   3           2HB      ASP   3  -8.112 -13.423  -5.467
   18    HB3  ASP   3           3HB      ASP   3  -6.474 -13.059  -6.028
   19    HD2  ASP   3           HD       ASP   3  -5.066 -15.395  -3.846
   20    H    CYS   4           H        CYS   4  -5.432 -10.129  -4.128
   21    HA   CYS   4           HA       CYS   4  -6.088  -8.914  -6.651
   22    HB2  CYS   4           2HB      CYS   4  -6.094  -6.653  -5.183
   23    HB3  CYS   4           3HB      CYS   4  -7.569  -7.518  -5.649
   24    H    VAL   5           H        VAL   5  -4.254  -8.134  -7.560
   25    HA   VAL   5           HA       VAL   5  -1.901  -7.929  -5.804
   26    HB   VAL   5           HB       VAL   5  -2.067  -9.156  -8.557
   27   HG11  VAL   5          1HG1      VAL   5  -0.017  -7.890  -8.318
   28   HG12  VAL   5          2HG1      VAL   5   0.339  -8.719  -6.803
   29   HG13  VAL   5          3HG1      VAL   5   0.318  -9.621  -8.321
   30   HG21  VAL   5          3HG2      VAL   5  -1.328 -11.209  -7.429
   31   HG22  VAL   5          1HG2      VAL   5  -1.399 -10.373  -5.877
   32   HG23  VAL   5          2HG2      VAL   5  -2.876 -10.636  -6.807
   33    H    GLY   6           H        GLY   6  -0.890  -6.064  -5.891
   34    HA2  GLY   6           2HA      GLY   6   0.348  -4.635  -7.600
   35    HA3  GLY   6           3HA      GLY   6  -1.271  -4.353  -8.263
   36    H    ARG   7           H        ARG   7  -1.611  -2.244  -7.835
   37    HA   ARG   7           HA       ARG   7  -1.641  -1.572  -4.976
   38    HB2  ARG   7           2HB      ARG   7  -1.113   0.745  -5.455
   39    HB3  ARG   7           3HB      ARG   7   0.166  -0.306  -6.083
   40    HG2  ARG   7           2HG      ARG   7  -2.040   0.641  -7.884
   41    HG3  ARG   7           3HG      ARG   7  -0.657   1.686  -7.509
   42    HD2  ARG   7           2HD      ARG   7   0.886  -0.016  -8.342
   43    HD3  ARG   7           3HD      ARG   7  -0.480  -1.090  -8.674
   44    HE   ARG   7           HE       ARG   7  -1.218   0.841 -10.214
   45   HH11  ARG   7          2HH1      ARG   7   2.121  -0.048  -9.596
   46   HH12  ARG   7          1HH1      ARG   7   2.660   0.423 -11.178
   47   HH21  ARG   7          2HH2      ARG   7  -0.508   1.468 -12.269
   48   HH22  ARG   7          1HH2      ARG   7   1.169   1.298 -12.702
   49    H    LYS   8           H        LYS   8  -3.467  -0.778  -4.216
   50    HA   LYS   8           HA       LYS   8  -5.686  -0.335  -6.065
   51    HB2  LYS   8           2HB      LYS   8  -6.163  -1.838  -4.250
   52    HB3  LYS   8           3HB      LYS   8  -5.515  -0.692  -3.067
   53    HG2  LYS   8           2HG      LYS   8  -7.935  -0.767  -2.969
   54    HG3  LYS   8           3HG      LYS   8  -7.372   0.824  -3.500
   55    HD2  LYS   8           2HD      LYS   8  -7.849   0.217  -5.839
   56    HD3  LYS   8           3HD      LYS   8  -8.412  -1.375  -5.300
   57    HE2  LYS   8           2HE      LYS   8 -10.304   0.110  -5.706
   58    HE3  LYS   8           3HE      LYS   8 -10.186  -0.310  -3.992
   59    HZ1  LYS   8           3HZ      LYS   8 -10.644   2.040  -4.281
   60    HZ2  LYS   8           1HZ      LYS   8  -9.249   2.231  -5.225
   61    HZ3  LYS   8           2HZ      LYS   8  -9.118   1.828  -3.579
   62    H    ALA   9           H        ALA   9  -6.301   1.673  -6.561
   63    HA   ALA   9           HA       ALA   9  -4.542   3.759  -5.723
   64    HB1  ALA   9           1HB      ALA   9  -6.929   3.913  -7.545
   65    HB2  ALA   9           2HB      ALA   9  -5.646   5.114  -7.390
   66    HB3  ALA   9           3HB      ALA   9  -5.284   3.515  -8.042
   67    H    CYS  10           H        CYS  10  -4.754   5.018  -4.100
   68    HA   CYS  10           HA       CYS  10  -7.389   6.094  -3.395
   69    HB2  CYS  10           2HB      CYS  10  -6.881   4.459  -1.684
   70    HB3  CYS  10           3HB      CYS  10  -5.243   5.104  -1.487
   71    H    THR  11           H        THR  11  -7.244   8.333  -2.651
   72    HA   THR  11           HA       THR  11  -4.668   9.636  -2.968
   73    HB   THR  11           HB       THR  11  -5.911  11.207  -4.722
   74    HG1  THR  11           1HG      THR  11  -6.840   8.793  -5.762
   75   HG21  THR  11          3HG2      THR  11  -4.781   9.981  -6.523
   76   HG22  THR  11          1HG2      THR  11  -4.573   8.597  -5.448
   77   HG23  THR  11          2HG2      THR  11  -3.757  10.118  -5.095
   78    H    ARG  12           H        ARG  12  -6.353   9.564  -0.739
   79    HA   ARG  12           HA       ARG  12  -7.649  12.153  -0.588
   80    HB2  ARG  12           2HB      ARG  12  -8.094  11.593   1.742
   81    HB3  ARG  12           3HB      ARG  12  -8.534  10.238   0.692
   82    HG2  ARG  12           2HG      ARG  12  -6.393   9.133   1.259
   83    HG3  ARG  12           3HG      ARG  12  -6.054  10.458   2.384
   84    HD2  ARG  12           2HD      ARG  12  -8.148   9.928   3.601
   85    HD3  ARG  12           3HD      ARG  12  -8.387   8.554   2.512
   86    HE   ARG  12           HE       ARG  12  -5.835   8.379   3.709
   87   HH11  ARG  12          2HH1      ARG  12  -9.240   7.977   4.431
   88   HH12  ARG  12          1HH1      ARG  12  -8.961   6.897   5.771
   89   HH21  ARG  12          2HH2      ARG  12  -5.468   6.945   5.465
   90   HH22  ARG  12          1HH2      ARG  12  -6.825   6.290   6.339
   91    H    GLU  13           H        GLU  13  -4.577  10.908  -0.353
   92    HA   GLU  13           HA       GLU  13  -3.305  13.365   0.238
   93    HB2  GLU  13           2HB      GLU  13  -4.020  12.685   2.549
   94    HB3  GLU  13           3HB      GLU  13  -3.083  11.196   2.348
   95    HG2  GLU  13           2HG      GLU  13  -1.032  12.546   2.083
   96    HG3  GLU  13           3HG      GLU  13  -1.991  13.998   2.397
   97    HE2  GLU  13           HE       GLU  13  -0.833  11.831   5.443
   98    H    TRP  14           H        TRP  14  -0.978  13.125  -0.194
   99    HA   TRP  14           HA       TRP  14  -0.328  10.435  -1.212
  100    HB2  TRP  14           2HB      TRP  14  -0.572  12.122  -3.010
  101    HB3  TRP  14           3HB      TRP  14   0.697  13.086  -2.253
  102    HD1  TRP  14           1HD      TRP  14   3.219  12.278  -2.522
  103    HE1  TRP  14           1HE      TRP  14   4.344  10.587  -4.104
  104    HE3  TRP  14           3HE      TRP  14  -0.956   9.872  -4.231
  105    HZ2  TRP  14           2HZ      TRP  14   3.562   8.505  -5.839
  106    HZ3  TRP  14           3HZ      TRP  14  -0.678   8.044  -5.851
  107    HH2  TRP  14           2HH      TRP  14   1.533   7.376  -6.638
  108    H    TYR  15           H        TYR  15   0.584   9.784   0.725
  109    HA   TYR  15           HA       TYR  15   3.343  10.706   0.933
  110    HB2  TYR  15           2HB      TYR  15   1.423   9.999   3.125
  111    HB3  TYR  15           3HB      TYR  15   3.108   9.508   3.309
  112    HD1  TYR  15           1HD      TYR  15   1.039  12.521   2.571
  113    HD2  TYR  15           2HD      TYR  15   4.680  10.991   4.143
  114    HE1  TYR  15           1HE      TYR  15   1.656  14.778   3.322
  115    HE2  TYR  15           2HE      TYR  15   5.308  13.244   4.901
  116    HH   TYR  15           HH       TYR  15   3.114  15.834   4.990
  117    HA   PRO  16           HA       PRO  16   3.073   6.617  -0.762
  118    HB2  PRO  16           2HB      PRO  16   5.330   6.647  -2.226
  119    HB3  PRO  16           3HB      PRO  16   3.916   7.608  -2.660
  120    HG2  PRO  16           2HG      PRO  16   6.418   8.438  -1.233
  121    HG3  PRO  16           3HG      PRO  16   5.525   9.279  -2.555
  122    HD2  PRO  16           2HD      PRO  16   5.325   9.909   0.136
  123    HD3  PRO  16           3HD      PRO  16   4.077  10.245  -1.076
  124    H    VAL  17           H        VAL  17   3.813   4.643  -0.191
  125    HA   VAL  17           HA       VAL  17   6.305   4.453   1.344
  126    HB   VAL  17           HB       VAL  17   5.310   2.979   3.002
  127   HG11  VAL  17          1HG1      VAL  17   3.755   5.551   2.822
  128   HG12  VAL  17          2HG1      VAL  17   4.020   4.584   4.274
  129   HG13  VAL  17          3HG1      VAL  17   5.383   5.375   3.480
  130   HG21  VAL  17          3HG2      VAL  17   2.921   2.613   3.176
  131   HG22  VAL  17          1HG2      VAL  17   2.648   3.567   1.718
  132   HG23  VAL  17          2HG2      VAL  17   3.520   2.037   1.621
  133    H    CYS  18           H        CYS  18   6.566   1.913   1.831
  134    HA   CYS  18           HA       CYS  18   5.903   0.489  -0.653
  135    HB2  CYS  18           2HB      CYS  18   8.263   1.354  -0.572
  136    HB3  CYS  18           3HB      CYS  18   8.538   0.271   0.802
  137    H    GLY  19           H        GLY  19   5.064  -1.468  -0.370
  138    HA2  GLY  19           2HA      GLY  19   4.662  -2.503   2.301
  139    HA3  GLY  19           3HA      GLY  19   4.125  -3.243   0.786
  140    H    SER  20           H        SER  20   5.383  -4.550   3.026
  141    HA   SER  20           HA       SER  20   8.142  -4.820   2.840
  142    HB2  SER  20           2HB      SER  20   6.806  -5.468   4.803
  143    HB3  SER  20           3HB      SER  20   6.162  -6.844   3.889
  144    HG   SER  20           HG       SER  20   8.615  -7.262   3.613
  145    H    ASP  21           H        ASP  21   5.798  -6.136   0.720
  146    HA   ASP  21           HA       ASP  21   7.458  -8.325  -0.154
  147    HB2  ASP  21           2HB      ASP  21   4.970  -8.349  -0.388
  148    HB3  ASP  21           3HB      ASP  21   5.111  -7.052  -1.583
  149    HD2  ASP  21           HD       ASP  21   5.938  -9.263  -4.081
  150    H    GLY  22           H        GLY  22   7.649  -5.039  -0.453
  151    HA2  GLY  22           2HA      GLY  22   9.268  -3.845  -1.680
  152    HA3  GLY  22           3HA      GLY  22   9.369  -5.202  -2.811
  153    H    VAL  23           H        VAL  23   6.346  -3.784  -1.720
  154    HA   VAL  23           HA       VAL  23   5.789  -3.235  -4.557
  155    HB   VAL  23           HB       VAL  23   4.367  -4.937  -3.699
  156   HG11  VAL  23          1HG1      VAL  23   2.902  -4.636  -1.776
  157   HG12  VAL  23          2HG1      VAL  23   4.604  -4.493  -1.328
  158   HG13  VAL  23          3HG1      VAL  23   3.609  -3.044  -1.486
  159   HG21  VAL  23          3HG2      VAL  23   3.290  -3.368  -5.209
  160   HG22  VAL  23          1HG2      VAL  23   2.138  -3.966  -4.014
  161   HG23  VAL  23          2HG2      VAL  23   2.824  -2.351  -3.845
  162    H    THR  24           H        THR  24   4.914  -1.326  -5.224
  163    HA   THR  24           HA       THR  24   5.499   0.970  -3.605
  164    HB   THR  24           HB       THR  24   4.058   1.114  -6.220
  165    HG1  THR  24           1HG      THR  24   6.839   0.782  -6.330
  166   HG21  THR  24          3HG2      THR  24   5.545   3.002  -6.588
  167   HG22  THR  24          1HG2      THR  24   6.388   2.649  -5.081
  168   HG23  THR  24          2HG2      THR  24   4.702   3.164  -5.048
  169    H    TYR  25           H        TYR  25   4.068   1.881  -2.251
  170    HA   TYR  25           HA       TYR  25   1.232   1.739  -2.958
  171    HB2  TYR  25           2HB      TYR  25   2.650   1.737  -0.307
  172    HB3  TYR  25           3HB      TYR  25   0.955   2.164  -0.455
  173    HD1  TYR  25           2HD      TYR  25  -0.233   0.405  -2.289
  174    HD2  TYR  25           1HD      TYR  25   2.885  -0.438   0.473
  175    HE1  TYR  25           2HE      TYR  25  -0.850  -1.966  -2.338
  176    HE2  TYR  25           1HE      TYR  25   2.282  -2.821   0.422
  177    HH   TYR  25           HH       TYR  25  -0.041  -4.137  -0.149
  178    H    SER  26           H        SER  26   0.089   3.528  -3.088
  179    HA   SER  26           HA       SER  26   1.453   5.923  -3.698
  180    HB2  SER  26           2HB      SER  26  -1.517   5.494  -3.268
  181    HB3  SER  26           3HB      SER  26  -0.759   6.796  -4.198
  182    HG   SER  26           HG       SER  26  -0.957   4.053  -4.815
  183    H    ASN  27           H        ASN  27   0.012   4.750  -0.785
  184    HA   ASN  27           HA       ASN  27   0.798   6.850   0.864
  185    HB2  ASN  27           2HB      ASN  27  -1.451   7.890   1.327
  186    HB3  ASN  27           3HB      ASN  27  -0.770   8.293  -0.254
  187   HD21  ASN  27          1HD2      ASN  27  -2.831   8.810  -1.014
  188   HD22  ASN  27          2HD2      ASN  27  -3.966   7.571  -1.448
  189    HA   PRO  28           HA       PRO  28  -0.508   4.232   4.212
  190    HB2  PRO  28           2HB      PRO  28  -2.587   6.226   5.070
  191    HB3  PRO  28           3HB      PRO  28  -1.349   5.395   6.015
  192    HG2  PRO  28           2HG      PRO  28  -1.059   7.934   5.264
  193    HG3  PRO  28           3HG      PRO  28   0.344   6.804   5.283
  194    HD2  PRO  28           2HD      PRO  28  -1.218   7.903   2.982
  195    HD3  PRO  28           3HD      PRO  28   0.501   7.485   3.093
  196    H    CYS  29           H        CYS  29  -3.445   5.816   2.862
  197    HA   CYS  29           HA       CYS  29  -5.176   3.726   3.598
  198    HB2  CYS  29           2HB      CYS  29  -6.741   4.708   1.893
  199    HB3  CYS  29           3HB      CYS  29  -6.154   5.828   3.133
  200    H    ASN  30           H        ASN  30  -3.214   4.234   0.751
  201    HA   ASN  30           HA       ASN  30  -4.221   2.146  -0.850
  202    HB2  ASN  30           2HB      ASN  30  -2.578   3.981  -1.500
  203    HB3  ASN  30           3HB      ASN  30  -1.332   3.025  -0.692
  204   HD21  ASN  30          1HD2      ASN  30  -2.757   0.511  -1.670
  205   HD22  ASN  30          2HD2      ASN  30  -2.234   0.387  -3.314
  206    H    PHE  31           H        PHE  31  -1.616   2.221   1.567
  207    HA   PHE  31           HA       PHE  31  -0.910  -0.505   1.361
  208    HB2  PHE  31           1HB      PHE  31   0.608   1.140   2.318
  209    HB3  PHE  31           2HB      PHE  31  -0.535   1.483   3.616
  210    HD1  PHE  31           2HD      PHE  31  -0.942  -0.193   5.400
  211    HD2  PHE  31           1HD      PHE  31   2.115  -0.741   2.477
  212    HE1  PHE  31           2HE      PHE  31   0.138  -1.868   6.839
  213    HE2  PHE  31           1HE      PHE  31   3.198  -2.401   3.923
  214    HZ   PHE  31           HZ       PHE  31   2.212  -2.973   6.101
  215    H    SER  32           H        SER  32  -3.045   1.261   3.585
  216    HA   SER  32           HA       SER  32  -3.644  -0.906   5.255
  217    HB2  SER  32           2HB      SER  32  -5.319   1.550   4.658
  218    HB3  SER  32           3HB      SER  32  -5.522   0.469   6.049
  219    HG   SER  32           HG       SER  32  -4.095   2.561   6.098
  220    H    ALA  33           H        ALA  33  -5.479   0.397   2.479
  221    HA   ALA  33           HA       ALA  33  -7.617  -1.451   2.714
  222    HB1  ALA  33           1HB      ALA  33  -8.291  -0.667   0.518
  223    HB2  ALA  33           2HB      ALA  33  -7.801   0.696   1.528
  224    HB3  ALA  33           3HB      ALA  33  -6.713   0.082   0.280
  225    H    GLN  34           H        GLN  34  -4.689  -1.385   0.726
  226    HA   GLN  34           HA       GLN  34  -5.343  -3.697  -0.772
  227    HB2  GLN  34           2HB      GLN  34  -3.670  -1.915  -1.406
  228    HB3  GLN  34           3HB      GLN  34  -2.571  -2.637  -0.221
  229    HG2  GLN  34           2HG      GLN  34  -1.945  -3.508  -2.317
  230    HG3  GLN  34           3HG      GLN  34  -2.806  -4.800  -1.469
  231   HE21  GLN  34          1HE2      GLN  34  -2.426  -4.659  -4.250
  232   HE22  GLN  34          2HE2      GLN  34  -3.980  -4.535  -4.989
  233    H    GLN  35           H        GLN  35  -3.680  -3.160   2.267
  234    HA   GLN  35           HA       GLN  35  -2.684  -5.836   2.424
  235    HB2  GLN  35           2HB      GLN  35  -2.622  -3.402   4.089
  236    HB3  GLN  35           3HB      GLN  35  -2.503  -4.936   4.959
  237    HG2  GLN  35           2HG      GLN  35  -0.321  -3.895   4.401
  238    HG3  GLN  35           3HG      GLN  35  -0.522  -5.545   3.806
  239   HE21  GLN  35          1HE2      GLN  35   1.191  -3.317   3.051
  240   HE22  GLN  35          2HE2      GLN  35   1.019  -3.185   1.342
  241    H    GLU  36           H        GLU  36  -5.484  -4.114   3.711
  242    HA   GLU  36           HA       GLU  36  -6.240  -6.213   5.470
  243    HB2  GLU  36           2HB      GLU  36  -8.303  -5.037   5.807
  244    HB3  GLU  36           3HB      GLU  36  -6.999  -3.845   5.714
  245    HG2  GLU  36           2HG      GLU  36  -7.617  -3.210   3.495
  246    HG3  GLU  36           3HG      GLU  36  -8.788  -4.532   3.402
  247    HE2  GLU  36           HE       GLU  36 -11.142  -2.782   5.272
  248    H    GLN  37           H        GLN  37  -6.845  -5.570   2.079
  249    HA   GLN  37           HA       GLN  37  -8.808  -7.756   2.026
  250    HB2  GLN  37           2HB      GLN  37  -8.101  -5.597   0.047
  251    HB3  GLN  37           3HB      GLN  37  -9.204  -6.931  -0.326
  252    HG2  GLN  37           2HG      GLN  37 -10.835  -6.186   1.144
  253    HG3  GLN  37           3HG      GLN  37  -9.685  -5.199   2.059
  254   HE21  GLN  37          1HE2      GLN  37  -8.433  -4.026  -0.234
  255   HE22  GLN  37          2HE2      GLN  37  -9.560  -2.904  -0.913
  256    H    CYS  38           H        CYS  38  -5.631  -6.884   0.762
  257    HA   CYS  38           HA       CYS  38  -5.746  -9.255  -0.965
  258    HB2  CYS  38           2HB      CYS  38  -3.810  -6.965  -1.226
  259    HB3  CYS  38           3HB      CYS  38  -4.220  -8.199  -2.437
  260    H    ASP  39           H        ASP  39  -3.129  -7.424   0.715
  261    HA   ASP  39           HA       ASP  39  -1.967 -10.058   1.362
  262    HB2  ASP  39           2HB      ASP  39  -0.879  -8.618  -0.561
  263    HB3  ASP  39           3HB      ASP  39  -0.184  -7.719   0.796
  264    HD2  ASP  39           HD       ASP  39   1.531 -11.019  -0.198
  265    HA   PRO  40           HA       PRO  40  -2.449  -7.652   5.245
  266    HB2  PRO  40           2HB      PRO  40  -2.897 -10.277   6.482
  267    HB3  PRO  40           3HB      PRO  40  -3.970  -8.882   6.379
  268    HG2  PRO  40           2HG      PRO  40  -4.355 -11.209   5.018
  269    HG3  PRO  40           3HG      PRO  40  -4.938  -9.607   4.432
  270    HD2  PRO  40           2HD      PRO  40  -2.551 -11.221   3.586
  271    HD3  PRO  40           3HD      PRO  40  -3.666 -10.252   2.608
  272    H    ASN  41           H        ASN  41  -0.284 -10.034   4.173
  273    HA   ASN  41           HA       ASN  41   0.981 -10.356   6.788
  274    HB2  ASN  41           2HB      ASN  41   1.234 -11.931   4.222
  275    HB3  ASN  41           3HB      ASN  41   2.217 -12.235   5.660
  276   HD21  ASN  41          1HD2      ASN  41  -0.951 -12.462   4.262
  277   HD22  ASN  41          2HD2      ASN  41  -1.650 -13.462   5.502
  278    H    ILE  42           H        ILE  42   1.385  -8.022   4.731
  279    HA   ILE  42           HA       ILE  42   4.321  -8.171   4.999
  280    HB   ILE  42           HB       ILE  42   4.596  -6.563   3.247
  281   HG12  ILE  42          2HG1      ILE  42   1.583  -6.437   3.226
  282   HG13  ILE  42          3HG1      ILE  42   2.711  -5.127   3.611
  283   HG21  ILE  42          1HG2      ILE  42   2.608  -8.643   2.363
  284   HG22  ILE  42          2HG2      ILE  42   3.733  -7.765   1.323
  285   HG23  ILE  42          3HG2      ILE  42   4.350  -8.886   2.541
  286   HD11  ILE  42          3HD1      ILE  42   2.393  -6.419   0.915
  287   HD12  ILE  42          1HD1      ILE  42   1.767  -4.840   1.403
  288   HD13  ILE  42          2HD1      ILE  42   3.511  -5.115   1.316
  289    H    THR  43           H        THR  43   5.415  -6.247   5.597
  290    HA   THR  43           HA       THR  43   3.844  -4.496   7.370
  291    HB   THR  43           HB       THR  43   6.814  -4.569   7.542
  292    HG1  THR  43           1HG      THR  43   6.951  -6.573   8.274
  293   HG21  THR  43          3HG2      THR  43   5.528  -3.169   9.061
  294   HG22  THR  43          1HG2      THR  43   6.334  -4.456   9.955
  295   HG23  THR  43          2HG2      THR  43   4.608  -4.571   9.606
  296    H    ILE  44           H        ILE  44   4.748  -2.197   7.498
  297    HA   ILE  44           HA       ILE  44   5.306  -1.073   4.955
  298    HB   ILE  44           HB       ILE  44   5.862   0.114   7.691
  299   HG12  ILE  44          2HG1      ILE  44   3.779   1.534   6.940
  300   HG13  ILE  44          3HG1      ILE  44   3.431   0.116   5.939
  301   HG21  ILE  44          1HG2      ILE  44   5.882   2.279   6.524
  302   HG22  ILE  44          2HG2      ILE  44   7.170   1.210   5.973
  303   HG23  ILE  44          3HG2      ILE  44   5.730   1.436   4.981
  304   HD11  ILE  44          3HD1      ILE  44   2.258   0.133   8.125
  305   HD12  ILE  44          1HD1      ILE  44   3.261  -1.293   7.863
  306   HD13  ILE  44          2HD1      ILE  44   3.827   0.002   8.920
  307    H    ALA  45           H        ALA  45   7.153  -1.223   3.860
  308    HA   ALA  45           HA       ALA  45   9.496  -2.334   5.149
  309    HB1  ALA  45           1HB      ALA  45   8.835  -3.115   2.922
  310    HB2  ALA  45           2HB      ALA  45   9.075  -1.487   2.279
  311    HB3  ALA  45           3HB      ALA  45  10.448  -2.402   2.899
  312    H    HIS  46           H        HIS  46   8.659   0.623   3.409
  313    HA   HIS  46           HA       HIS  46  10.182   2.260   5.134
  314    HB2  HIS  46           2HB      HIS  46  11.878   3.088   3.622
  315    HB3  HIS  46           3HB      HIS  46  12.060   1.340   3.782
  316    HD1  HIS  46           1HD      HIS  46  11.114   3.984   1.297
  317    HD2  HIS  46           2HD      HIS  46  11.645  -0.141   1.445
  318    HE1  HIS  46           1HE      HIS  46  11.156   3.217  -1.101
  319    HE2  HIS  46           2HE      HIS  46  11.705   0.765  -0.982
  320    H    MET  47           H        MET  47   9.911   4.538   4.611
  321    HA   MET  47           HA       MET  47   7.534   5.021   3.042
  322    HB2  MET  47           2HB      MET  47   9.376   6.930   4.505
  323    HB3  MET  47           3HB      MET  47   7.880   7.401   3.689
  324    HG2  MET  47           2HG      MET  47   6.650   5.810   5.194
  325    HG3  MET  47           3HG      MET  47   8.163   5.605   6.080
  326    HE1  MET  47           3HE      MET  47   5.780   9.547   5.818
  327    HE2  MET  47           1HE      MET  47   6.636   8.874   4.431
  328    HE3  MET  47           2HE      MET  47   5.262   8.011   5.119
  329    H    GLY  48           H        GLY  48   7.507   6.589   1.290
  330    HA2  GLY  48           2HA      GLY  48   8.551   7.526  -0.641
  331    HA3  GLY  48           3HA      GLY  48  10.015   6.608  -0.249
  332    H    GLU  49           H        GLU  49   8.062   6.754  -2.633
  333    HA   GLU  49           HA       GLU  49   6.747   4.236  -2.726
  334    HB2  GLU  49           2HB      GLU  49   6.403   4.750  -5.124
  335    HB3  GLU  49           3HB      GLU  49   5.936   6.084  -4.056
  336    HG2  GLU  49           2HG      GLU  49   7.922   7.307  -4.571
  337    HG3  GLU  49           3HG      GLU  49   8.586   5.932  -5.464
  338    HE2  GLU  49           HE       GLU  49   6.195   8.388  -7.333
  339    H    CYS  50           H        CYS  50   7.344   2.329  -3.589
  340    HA   CYS  50           HA       CYS  50  10.095   1.923  -4.321
  341    HB2  CYS  50           1HB      CYS  50   7.736   0.192  -3.786
  342    HB3  CYS  50           2HB      CYS  50   9.046  -0.479  -4.761
  Start of MODEL   11
    1    H1   ALA   1           1H       ALA   1 -11.091  -7.840  -0.927
    2    H2   ALA   1           2H       ALA   1  -9.612  -8.643  -0.734
    3    H3   ALA   1           3H       ALA   1 -11.055  -9.395  -0.259
    4    HA   ALA   1           HA       ALA   1 -11.814  -9.469  -2.525
    5    HB1  ALA   1           2HB      ALA   1  -9.135  -8.253  -3.182
    6    HB2  ALA   1           3HB      ALA   1 -10.329  -8.821  -4.348
    7    HB3  ALA   1           1HB      ALA   1 -10.699  -7.448  -3.307
    8    H    GLU   2           H        GLU   2  -9.088 -10.362  -0.709
    9    HA   GLU   2           HA       GLU   2  -8.008 -12.307  -0.392
   10    HB2  GLU   2           2HB      GLU   2  -9.914 -13.408  -2.467
   11    HB3  GLU   2           3HB      GLU   2  -8.772 -14.381  -1.526
   12    HG2  GLU   2           2HG      GLU   2 -11.057 -12.747  -0.422
   13    HG3  GLU   2           3HG      GLU   2 -10.990 -14.509  -0.563
   14    HE2  GLU   2           HE       GLU   2  -9.121 -14.814   2.320
   15    H    ASP   3           H        ASP   3  -8.635 -11.909  -3.899
   16    HA   ASP   3           HA       ASP   3  -5.707 -12.080  -4.242
   17    HB2  ASP   3           2HB      ASP   3  -7.954 -13.095  -5.921
   18    HB3  ASP   3           3HB      ASP   3  -6.523 -12.471  -6.751
   19    HD2  ASP   3           HD       ASP   3  -6.326 -16.000  -5.132
   20    H    CYS   4           H        CYS   4  -5.021 -10.093  -4.280
   21    HA   CYS   4           HA       CYS   4  -5.618  -8.538  -6.600
   22    HB2  CYS   4           2HB      CYS   4  -5.714  -6.452  -4.954
   23    HB3  CYS   4           3HB      CYS   4  -7.176  -7.334  -5.430
   24    H    VAL   5           H        VAL   5  -3.721  -7.589  -7.312
   25    HA   VAL   5           HA       VAL   5  -1.505  -7.678  -5.383
   26    HB   VAL   5           HB       VAL   5  -1.372  -9.667  -6.770
   27   HG11  VAL   5          1HG1      VAL   5  -2.494  -8.831  -8.764
   28   HG12  VAL   5          2HG1      VAL   5  -1.121  -7.777  -9.096
   29   HG13  VAL   5          3HG1      VAL   5  -0.924  -9.529  -9.164
   30   HG21  VAL   5          3HG2      VAL   5   0.940  -9.397  -7.542
   31   HG22  VAL   5          1HG2      VAL   5   0.782  -7.649  -7.368
   32   HG23  VAL   5          2HG2      VAL   5   0.684  -8.689  -5.948
   33    H    GLY   6           H        GLY   6  -0.357  -5.932  -5.238
   34    HA2  GLY   6           2HA      GLY   6   1.137  -4.404  -6.418
   35    HA3  GLY   6           3HA      GLY   6  -0.160  -4.179  -7.601
   36    H    ARG   7           H        ARG   7  -1.458  -2.518  -7.363
   37    HA   ARG   7           HA       ARG   7  -1.480  -1.134  -4.782
   38    HB2  ARG   7           2HB      ARG   7   0.138   0.060  -6.026
   39    HB3  ARG   7           3HB      ARG   7  -0.828  -0.027  -7.507
   40    HG2  ARG   7           2HG      ARG   7  -2.507   1.475  -6.437
   41    HG3  ARG   7           3HG      ARG   7  -1.384   1.657  -5.077
   42    HD2  ARG   7           2HD      ARG   7  -1.256   3.479  -6.816
   43    HD3  ARG   7           3HD      ARG   7   0.271   2.660  -6.455
   44    HE   ARG   7           HE       ARG   7  -1.346   1.801  -8.764
   45   HH11  ARG   7          2HH1      ARG   7   1.578   3.239  -7.480
   46   HH12  ARG   7          1HH1      ARG   7   2.498   2.971  -8.929
   47   HH21  ARG   7          2HH2      ARG   7  -0.142   1.476 -10.685
   48   HH22  ARG   7          1HH2      ARG   7   1.511   2.009 -10.762
   49    H    LYS   8           H        LYS   8  -3.479  -0.876  -4.125
   50    HA   LYS   8           HA       LYS   8  -5.673  -0.892  -6.054
   51    HB2  LYS   8           2HB      LYS   8  -5.627  -2.337  -3.942
   52    HB3  LYS   8           3HB      LYS   8  -5.837  -0.832  -3.033
   53    HG2  LYS   8           2HG      LYS   8  -7.964  -1.919  -3.287
   54    HG3  LYS   8           3HG      LYS   8  -7.945  -0.428  -4.240
   55    HD2  LYS   8           2HD      LYS   8  -7.345  -1.804  -6.252
   56    HD3  LYS   8           3HD      LYS   8  -7.604  -3.247  -5.257
   57    HE2  LYS   8           2HE      LYS   8  -9.607  -2.846  -6.514
   58    HE3  LYS   8           3HE      LYS   8  -9.924  -2.453  -4.818
   59    HZ1  LYS   8           3HZ      LYS   8  -9.744  -0.136  -5.285
   60    HZ2  LYS   8           1HZ      LYS   8 -10.795  -0.805  -6.437
   61    HZ3  LYS   8           2HZ      LYS   8  -9.194  -0.429  -6.859
   62    H    ALA   9           H        ALA   9  -6.761   1.000  -6.528
   63    HA   ALA   9           HA       ALA   9  -5.065   3.229  -5.968
   64    HB1  ALA   9           1HB      ALA   9  -5.937   2.806  -8.197
   65    HB2  ALA   9           2HB      ALA   9  -7.578   3.110  -7.617
   66    HB3  ALA   9           3HB      ALA   9  -6.388   4.412  -7.618
   67    H    CYS  10           H        CYS  10  -5.194   4.363  -4.268
   68    HA   CYS  10           HA       CYS  10  -7.680   5.805  -3.735
   69    HB2  CYS  10           2HB      CYS  10  -7.520   4.204  -1.931
   70    HB3  CYS  10           3HB      CYS  10  -5.807   4.567  -1.686
   71    H    THR  11           H        THR  11  -7.221   8.043  -3.280
   72    HA   THR  11           HA       THR  11  -4.507   8.956  -3.146
   73    HB   THR  11           HB       THR  11  -5.996   9.573  -5.714
   74    HG1  THR  11           1HG      THR  11  -4.306   7.474  -5.034
   75   HG21  THR  11          3HG2      THR  11  -3.155  10.080  -4.836
   76   HG22  THR  11          1HG2      THR  11  -4.427  11.291  -4.993
   77   HG23  THR  11          2HG2      THR  11  -3.820  10.458  -6.425
   78    H    ARG  12           H        ARG  12  -5.849   9.745  -1.284
   79    HA   ARG  12           HA       ARG  12  -7.107  12.301  -2.004
   80    HB2  ARG  12           2HB      ARG  12  -8.258  12.152   0.216
   81    HB3  ARG  12           3HB      ARG  12  -8.728  10.900  -0.946
   82    HG2  ARG  12           2HG      ARG  12  -8.561   9.717   1.026
   83    HG3  ARG  12           3HG      ARG  12  -6.990   9.431   0.258
   84    HD2  ARG  12           2HD      ARG  12  -5.937  11.096   1.664
   85    HD3  ARG  12           3HD      ARG  12  -7.506  11.545   2.346
   86    HE   ARG  12           HE       ARG  12  -7.049   8.788   2.759
   87   HH11  ARG  12          2HH1      ARG  12  -5.981  11.932   3.882
   88   HH12  ARG  12          1HH1      ARG  12  -5.558  11.370   5.469
   89   HH21  ARG  12          2HH2      ARG  12  -6.526   8.053   4.855
   90   HH22  ARG  12          1HH2      ARG  12  -5.905   9.165   6.040
   91    H    GLU  13           H        GLU  13  -4.290  11.222  -1.271
   92    HA   GLU  13           HA       GLU  13  -3.147  13.457  -0.081
   93    HB2  GLU  13           2HB      GLU  13  -4.532  12.611   1.876
   94    HB3  GLU  13           3HB      GLU  13  -3.507  11.167   1.867
   95    HG2  GLU  13           2HG      GLU  13  -1.559  12.465   2.412
   96    HG3  GLU  13           3HG      GLU  13  -2.488  13.965   2.274
   97    HE2  GLU  13           HE       GLU  13  -3.859  13.586   5.427
   98    H    TRP  14           H        TRP  14  -0.819  13.150   0.022
   99    HA   TRP  14           HA       TRP  14  -0.011  10.528  -1.055
  100    HB2  TRP  14           2HB      TRP  14   0.133  12.352  -2.720
  101    HB3  TRP  14           3HB      TRP  14   1.233  13.221  -1.653
  102    HD1  TRP  14           1HD      TRP  14   3.766  12.457  -1.571
  103    HE1  TRP  14           1HE      TRP  14   5.168  10.848  -3.017
  104    HE3  TRP  14           3HE      TRP  14  -0.024  10.090  -4.066
  105    HZ2  TRP  14           2HZ      TRP  14   4.721   8.846  -4.949
  106    HZ3  TRP  14           3HZ      TRP  14   0.554   8.340  -5.692
  107    HH2  TRP  14           2HH      TRP  14   2.877   7.731  -6.122
  108    H    TYR  15           H        TYR  15   0.568   9.620   0.878
  109    HA   TYR  15           HA       TYR  15   3.181  10.543   1.823
  110    HB2  TYR  15           2HB      TYR  15   0.972   9.132   3.340
  111    HB3  TYR  15           3HB      TYR  15   2.656   9.023   3.856
  112    HD1  TYR  15           2HD      TYR  15  -0.133  11.408   3.333
  113    HD2  TYR  15           1HD      TYR  15   3.694  10.757   5.065
  114    HE1  TYR  15           2HE      TYR  15  -0.357  13.500   4.602
  115    HE2  TYR  15           1HE      TYR  15   3.481  12.846   6.339
  116    HH   TYR  15           HH       TYR  15   2.242  14.973   6.184
  117    HA   PRO  16           HA       PRO  16   3.484   6.803  -0.569
  118    HB2  PRO  16           2HB      PRO  16   5.924   7.177  -1.617
  119    HB3  PRO  16           3HB      PRO  16   4.544   8.161  -2.103
  120    HG2  PRO  16           2HG      PRO  16   6.738   8.789  -0.160
  121    HG3  PRO  16           3HG      PRO  16   6.018   9.829  -1.445
  122    HD2  PRO  16           2HD      PRO  16   5.356   9.935   1.252
  123    HD3  PRO  16           3HD      PRO  16   4.313  10.482  -0.073
  124    H    VAL  17           H        VAL  17   4.092   4.821  -0.033
  125    HA   VAL  17           HA       VAL  17   6.510   4.414   1.561
  126    HB   VAL  17           HB       VAL  17   5.406   2.818   3.057
  127   HG11  VAL  17          1HG1      VAL  17   5.701   5.101   3.828
  128   HG12  VAL  17          2HG1      VAL  17   4.138   5.549   3.144
  129   HG13  VAL  17          3HG1      VAL  17   4.218   4.407   4.486
  130   HG21  VAL  17          3HG2      VAL  17   2.942   2.761   3.219
  131   HG22  VAL  17          1HG2      VAL  17   2.849   3.746   1.760
  132   HG23  VAL  17          2HG2      VAL  17   3.548   2.129   1.689
  133    H    CYS  18           H        CYS  18   6.809   1.915   1.790
  134    HA   CYS  18           HA       CYS  18   6.001   0.640  -0.737
  135    HB2  CYS  18           2HB      CYS  18   8.326   1.390  -0.855
  136    HB3  CYS  18           3HB      CYS  18   8.701   0.490   0.619
  137    H    GLY  19           H        GLY  19   4.943  -1.178  -0.417
  138    HA2  GLY  19           2HA      GLY  19   4.775  -2.359   2.223
  139    HA3  GLY  19           3HA      GLY  19   3.964  -2.927   0.756
  140    H    SER  20           H        SER  20   5.355  -4.496   2.736
  141    HA   SER  20           HA       SER  20   8.015  -5.035   2.181
  142    HB2  SER  20           2HB      SER  20   6.840  -5.689   4.250
  143    HB3  SER  20           3HB      SER  20   5.971  -6.936   3.339
  144    HG   SER  20           HG       SER  20   8.162  -7.722   2.767
  145    H    ASP  21           H        ASP  21   5.321  -5.937   0.278
  146    HA   ASP  21           HA       ASP  21   6.520  -8.227  -0.961
  147    HB2  ASP  21           2HB      ASP  21   4.066  -7.771  -0.980
  148    HB3  ASP  21           3HB      ASP  21   4.367  -6.370  -2.018
  149    HD2  ASP  21           HD       ASP  21   4.756  -8.354  -4.833
  150    H    GLY  22           H        GLY  22   7.201  -4.988  -0.958
  151    HA2  GLY  22           2HA      GLY  22   8.942  -3.910  -2.095
  152    HA3  GLY  22           3HA      GLY  22   8.877  -5.163  -3.339
  153    H    VAL  23           H        VAL  23   5.916  -3.721  -2.245
  154    HA   VAL  23           HA       VAL  23   5.691  -2.475  -4.914
  155    HB   VAL  23           HB       VAL  23   4.097  -4.256  -4.595
  156   HG11  VAL  23          1HG1      VAL  23   3.987  -4.296  -2.179
  157   HG12  VAL  23          2HG1      VAL  23   3.150  -2.744  -2.171
  158   HG13  VAL  23          3HG1      VAL  23   2.367  -4.163  -2.865
  159   HG21  VAL  23          3HG2      VAL  23   3.362  -2.357  -5.906
  160   HG22  VAL  23          1HG2      VAL  23   2.006  -3.035  -5.005
  161   HG23  VAL  23          2HG2      VAL  23   2.779  -1.550  -4.453
  162    H    THR  24           H        THR  24   4.994  -0.343  -5.116
  163    HA   THR  24           HA       THR  24   5.371   1.188  -2.684
  164    HB   THR  24           HB       THR  24   6.426   1.790  -4.968
  165    HG1  THR  24           1HG      THR  24   5.335   3.396  -2.974
  166   HG21  THR  24          3HG2      THR  24   5.114   3.456  -6.241
  167   HG22  THR  24          1HG2      THR  24   3.689   3.014  -5.297
  168   HG23  THR  24          2HG2      THR  24   4.451   1.823  -6.358
  169    H    TYR  25           H        TYR  25   3.870   2.156  -1.573
  170    HA   TYR  25           HA       TYR  25   1.146   2.126  -2.616
  171    HB2  TYR  25           2HB      TYR  25   2.276   2.157   0.182
  172    HB3  TYR  25           3HB      TYR  25   0.578   2.426  -0.171
  173    HD1  TYR  25           1HD      TYR  25  -0.657   0.636  -1.556
  174    HD2  TYR  25           2HD      TYR  25   3.060  -0.052   0.394
  175    HE1  TYR  25           1HE      TYR  25  -1.039  -1.784  -1.699
  176    HE2  TYR  25           2HE      TYR  25   2.681  -2.476   0.257
  177    HH   TYR  25           HH       TYR  25   0.272  -3.847  -1.700
  178    H    SER  26           H        SER  26   0.060   3.897  -2.908
  179    HA   SER  26           HA       SER  26   1.373   6.352  -3.243
  180    HB2  SER  26           2HB      SER  26  -0.476   5.813  -4.652
  181    HB3  SER  26           3HB      SER  26  -1.548   5.569  -3.263
  182    HG   SER  26           HG       SER  26  -0.502   8.051  -3.188
  183    H    ASN  27           H        ASN  27  -0.293   5.020  -0.526
  184    HA   ASN  27           HA       ASN  27   0.409   7.065   1.241
  185    HB2  ASN  27           2HB      ASN  27  -1.856   8.052   1.672
  186    HB3  ASN  27           3HB      ASN  27  -1.167   8.491   0.103
  187   HD21  ASN  27          1HD2      ASN  27  -2.992   8.885  -1.000
  188   HD22  ASN  27          2HD2      ASN  27  -4.193   7.684  -1.356
  189    HA   PRO  28           HA       PRO  28  -0.830   4.207   4.414
  190    HB2  PRO  28           2HB      PRO  28  -2.890   6.162   5.410
  191    HB3  PRO  28           3HB      PRO  28  -1.643   5.278   6.291
  192    HG2  PRO  28           2HG      PRO  28  -1.371   7.864   5.675
  193    HG3  PRO  28           3HG      PRO  28   0.038   6.739   5.648
  194    HD2  PRO  28           2HD      PRO  28  -1.497   7.963   3.396
  195    HD3  PRO  28           3HD      PRO  28   0.212   7.511   3.491
  196    H    CYS  29           H        CYS  29  -3.606   5.945   3.063
  197    HA   CYS  29           HA       CYS  29  -5.631   4.109   3.519
  198    HB2  CYS  29           2HB      CYS  29  -6.159   6.295   2.782
  199    HB3  CYS  29           3HB      CYS  29  -5.169   6.124   1.323
  200    H    ASN  30           H        ASN  30  -3.394   4.350   0.805
  201    HA   ASN  30           HA       ASN  30  -4.479   2.253  -0.735
  202    HB2  ASN  30           2HB      ASN  30  -3.067   3.977  -1.698
  203    HB3  ASN  30           3HB      ASN  30  -1.713   3.471  -0.679
  204   HD21  ASN  30          1HD2      ASN  30  -3.705   1.027  -2.101
  205   HD22  ASN  30          2HD2      ASN  30  -2.567   0.536  -3.300
  206    H    PHE  31           H        PHE  31  -1.765   2.314   1.569
  207    HA   PHE  31           HA       PHE  31  -1.088  -0.407   1.300
  208    HB2  PHE  31           1HB      PHE  31   0.510   1.141   2.220
  209    HB3  PHE  31           2HB      PHE  31  -0.582   1.557   3.542
  210    HD1  PHE  31           2HD      PHE  31   1.569  -1.149   2.197
  211    HD2  PHE  31           1HD      PHE  31  -0.697   0.265   5.516
  212    HE1  PHE  31           2HE      PHE  31   2.576  -2.875   3.622
  213    HE2  PHE  31           1HE      PHE  31   0.312  -1.465   6.941
  214    HZ   PHE  31           HZ       PHE  31   1.948  -3.040   5.992
  215    H    SER  32           H        SER  32  -3.170   1.293   3.642
  216    HA   SER  32           HA       SER  32  -3.596  -0.940   5.306
  217    HB2  SER  32           2HB      SER  32  -5.558   0.366   6.170
  218    HB3  SER  32           3HB      SER  32  -4.035   1.268   6.160
  219    HG   SER  32           HG       SER  32  -6.357   1.782   4.830
  220    H    ALA  33           H        ALA  33  -5.587   0.454   2.719
  221    HA   ALA  33           HA       ALA  33  -7.663  -1.451   2.918
  222    HB1  ALA  33           1HB      ALA  33  -6.867   0.232   0.547
  223    HB2  ALA  33           2HB      ALA  33  -8.416  -0.585   0.771
  224    HB3  ALA  33           3HB      ALA  33  -7.948   0.734   1.846
  225    H    GLN  34           H        GLN  34  -4.784  -1.252   0.864
  226    HA   GLN  34           HA       GLN  34  -5.428  -3.462  -0.761
  227    HB2  GLN  34           2HB      GLN  34  -3.764  -1.796  -1.419
  228    HB3  GLN  34           3HB      GLN  34  -2.716  -2.305  -0.087
  229    HG2  GLN  34           2HG      GLN  34  -1.853  -3.288  -2.053
  230    HG3  GLN  34           3HG      GLN  34  -2.634  -4.575  -1.127
  231   HE21  GLN  34          1HE2      GLN  34  -2.093  -4.759  -3.859
  232   HE22  GLN  34          2HE2      GLN  34  -3.590  -4.829  -4.713
  233    H    GLN  35           H        GLN  35  -3.617  -3.190   2.262
  234    HA   GLN  35           HA       GLN  35  -2.751  -5.897   2.164
  235    HB2  GLN  35           2HB      GLN  35  -2.328  -3.609   3.875
  236    HB3  GLN  35           3HB      GLN  35  -2.570  -5.090   4.818
  237    HG2  GLN  35           2HG      GLN  35  -0.192  -4.565   4.201
  238    HG3  GLN  35           3HG      GLN  35  -0.761  -6.175   3.775
  239   HE21  GLN  35          1HE2      GLN  35   0.587  -3.341   2.667
  240   HE22  GLN  35          2HE2      GLN  35   0.619  -3.744   0.985
  241    H    GLU  36           H        GLU  36  -5.474  -4.267   3.728
  242    HA   GLU  36           HA       GLU  36  -6.256  -6.595   5.183
  243    HB2  GLU  36           2HB      GLU  36  -8.357  -5.426   5.612
  244    HB3  GLU  36           3HB      GLU  36  -6.965  -4.369   5.898
  245    HG2  GLU  36           2HG      GLU  36  -7.318  -3.260   3.774
  246    HG3  GLU  36           3HG      GLU  36  -8.664  -4.354   3.418
  247    HE2  GLU  36           HE       GLU  36  -9.281  -1.499   6.105
  248    H    GLN  37           H        GLN  37  -6.786  -5.464   1.938
  249    HA   GLN  37           HA       GLN  37  -8.949  -7.338   1.452
  250    HB2  GLN  37           2HB      GLN  37  -7.441  -5.474  -0.383
  251    HB3  GLN  37           3HB      GLN  37  -8.777  -6.517  -0.902
  252    HG2  GLN  37           2HG      GLN  37 -10.345  -5.321   0.431
  253    HG3  GLN  37           3HG      GLN  37  -9.051  -4.440   1.256
  254   HE21  GLN  37          1HE2      GLN  37  -7.516  -4.053  -1.175
  255   HE22  GLN  37          2HE2      GLN  37  -8.328  -2.821  -2.071
  256    H    CYS  38           H        CYS  38  -5.492  -7.201   0.984
  257    HA   CYS  38           HA       CYS  38  -5.672  -9.525  -0.818
  258    HB2  CYS  38           2HB      CYS  38  -3.392  -7.568  -0.784
  259    HB3  CYS  38           3HB      CYS  38  -3.846  -8.712  -2.062
  260    H    ASP  39           H        ASP  39  -2.970  -8.020   0.983
  261    HA   ASP  39           HA       ASP  39  -2.364 -10.686   2.081
  262    HB2  ASP  39           2HB      ASP  39  -0.992  -9.847  -0.019
  263    HB3  ASP  39           3HB      ASP  39  -0.123  -8.914   1.209
  264    HD2  ASP  39           HD       ASP  39   0.535 -12.781   0.963
  265    HA   PRO  40           HA       PRO  40  -2.564  -7.606   5.490
  266    HB2  PRO  40           2HB      PRO  40  -2.967 -10.111   7.051
  267    HB3  PRO  40           3HB      PRO  40  -3.922  -8.630   7.012
  268    HG2  PRO  40           2HG      PRO  40  -4.760 -10.893   5.854
  269    HG3  PRO  40           3HG      PRO  40  -5.098  -9.281   5.120
  270    HD2  PRO  40           2HD      PRO  40  -3.055 -11.354   4.368
  271    HD3  PRO  40           3HD      PRO  40  -4.066 -10.335   3.330
  272    H    ASN  41           H        ASN  41  -0.409 -10.144   4.802
  273    HA   ASN  41           HA       ASN  41   0.797 -10.196   7.430
  274    HB2  ASN  41           2HB      ASN  41   0.409 -12.212   5.880
  275    HB3  ASN  41           3HB      ASN  41   1.840 -11.647   5.012
  276   HD21  ASN  41          1HD2      ASN  41   0.630 -12.975   7.980
  277   HD22  ASN  41          2HD2      ASN  41   2.167 -13.447   8.633
  278    H    ILE  42           H        ILE  42   1.394  -8.530   4.437
  279    HA   ILE  42           HA       ILE  42   4.211  -8.267   4.941
  280    HB   ILE  42           HB       ILE  42   4.459  -7.052   3.011
  281   HG12  ILE  42          2HG1      ILE  42   1.543  -6.271   3.090
  282   HG13  ILE  42          3HG1      ILE  42   2.884  -5.242   3.613
  283   HG21  ILE  42          1HG2      ILE  42   3.648  -9.243   2.429
  284   HG22  ILE  42          2HG2      ILE  42   1.975  -8.697   2.567
  285   HG23  ILE  42          3HG2      ILE  42   3.007  -8.058   1.288
  286   HD11  ILE  42          3HD1      ILE  42   2.091  -4.705   1.351
  287   HD12  ILE  42          1HD1      ILE  42   3.788  -5.187   1.386
  288   HD13  ILE  42          2HD1      ILE  42   2.554  -6.322   0.828
  289    H    THR  43           H        THR  43   5.327  -6.422   5.458
  290    HA   THR  43           HA       THR  43   3.817  -4.487   7.079
  291    HB   THR  43           HB       THR  43   6.148  -4.090   8.099
  292    HG1  THR  43           1HG      THR  43   7.606  -5.822   7.835
  293   HG21  THR  43          3HG2      THR  43   4.338  -5.257   9.288
  294   HG22  THR  43          1HG2      THR  43   5.913  -5.968   9.653
  295   HG23  THR  43          2HG2      THR  43   4.821  -6.773   8.526
  296    H    ILE  44           H        ILE  44   4.876  -2.253   7.102
  297    HA   ILE  44           HA       ILE  44   5.479  -1.404   4.442
  298    HB   ILE  44           HB       ILE  44   5.925   0.068   7.058
  299   HG12  ILE  44          2HG1      ILE  44   3.623   0.205   5.093
  300   HG13  ILE  44          3HG1      ILE  44   3.574  -0.597   6.672
  301   HG21  ILE  44          1HG2      ILE  44   5.797   1.114   4.229
  302   HG22  ILE  44          2HG2      ILE  44   5.935   2.101   5.685
  303   HG23  ILE  44          3HG2      ILE  44   7.246   1.009   5.232
  304   HD11  ILE  44          3HD1      ILE  44   2.496   1.568   6.781
  305   HD12  ILE  44          1HD1      ILE  44   3.950   1.546   7.782
  306   HD13  ILE  44          2HD1      ILE  44   3.970   2.350   6.211
  307    H    ALA  45           H        ALA  45   7.335  -1.651   3.429
  308    HA   ALA  45           HA       ALA  45   9.631  -2.725   4.765
  309    HB1  ALA  45           1HB      ALA  45   9.290  -1.833   1.901
  310    HB2  ALA  45           2HB      ALA  45  10.622  -2.800   2.535
  311    HB3  ALA  45           3HB      ALA  45   8.985  -3.456   2.518
  312    H    HIS  46           H        HIS  46   8.834   0.313   3.150
  313    HA   HIS  46           HA       HIS  46  10.466   1.808   4.896
  314    HB2  HIS  46           2HB      HIS  46  12.153   2.653   3.410
  315    HB3  HIS  46           3HB      HIS  46  12.256   0.892   3.414
  316    HD1  HIS  46           1HD      HIS  46  11.427   3.787   1.196
  317    HD2  HIS  46           2HD      HIS  46  11.655  -0.359   0.980
  318    HE1  HIS  46           1HE      HIS  46  11.326   3.225  -1.255
  319    HE2  HIS  46           2HE      HIS  46  11.749   0.747  -1.350
  320    H    MET  47           H        MET  47  10.237   4.071   4.576
  321    HA   MET  47           HA       MET  47   7.813   4.808   3.225
  322    HB2  MET  47           2HB      MET  47   8.662   5.834   5.386
  323    HB3  MET  47           3HB      MET  47   9.891   6.657   4.414
  324    HG2  MET  47           2HG      MET  47   8.193   7.843   3.169
  325    HG3  MET  47           3HG      MET  47   6.925   6.950   4.011
  326    HE1  MET  47           3HE      MET  47   6.336  10.413   5.576
  327    HE2  MET  47           1HE      MET  47   6.693  10.011   3.897
  328    HE3  MET  47           2HE      MET  47   5.609   8.987   4.835
  329    H    GLY  48           H        GLY  48   7.658   6.122   1.369
  330    HA2  GLY  48           2HA      GLY  48   8.797   7.430  -0.354
  331    HA3  GLY  48           3HA      GLY  48  10.176   6.343  -0.156
  332    H    GLU  49           H        GLU  49   9.263   6.751  -2.630
  333    HA   GLU  49           HA       GLU  49   7.228   4.829  -3.359
  334    HB2  GLU  49           2HB      GLU  49   9.002   6.612  -5.046
  335    HB3  GLU  49           3HB      GLU  49   7.633   5.664  -5.644
  336    HG2  GLU  49           2HG      GLU  49   6.057   7.008  -4.550
  337    HG3  GLU  49           3HG      GLU  49   7.283   7.714  -3.487
  338    HE2  GLU  49           HE       GLU  49   6.854   9.235  -7.118
  339    H    CYS  50           H        CYS  50   7.584   2.810  -3.801
  340    HA   CYS  50           HA       CYS  50  10.244   1.799  -4.408
  341    HB2  CYS  50           1HB      CYS  50   7.704   0.717  -3.449
  342    HB3  CYS  50           2HB      CYS  50   8.462  -0.309  -4.675
  Start of MODEL   12
    1    H1   ALA   1           1H       ALA   1 -11.272  -8.587  -0.666
    2    H2   ALA   1           2H       ALA   1 -12.588  -9.220  -1.519
    3    H3   ALA   1           3H       ALA   1 -12.366  -7.543  -1.431
    4    HA   ALA   1           HA       ALA   1 -11.734  -8.448  -3.589
    5    HB1  ALA   1           2HB      ALA   1 -10.673  -6.406  -2.778
    6    HB2  ALA   1           3HB      ALA   1  -9.436  -7.362  -1.965
    7    HB3  ALA   1           1HB      ALA   1  -9.540  -7.370  -3.725
    8    H    GLU   2           H        GLU   2  -9.533  -9.497  -1.001
    9    HA   GLU   2           HA       GLU   2  -8.426 -11.421  -0.607
   10    HB2  GLU   2           2HB      GLU   2 -10.484 -12.582  -1.246
   11    HB3  GLU   2           3HB      GLU   2  -9.986 -12.531  -2.943
   12    HG2  GLU   2           2HG      GLU   2  -8.133 -13.993  -2.524
   13    HG3  GLU   2           3HG      GLU   2  -8.438 -13.935  -0.783
   14    HE2  GLU   2           HE       GLU   2 -11.089 -16.002  -2.914
   15    H    ASP   3           H        ASP   3  -8.677 -11.066  -4.164
   16    HA   ASP   3           HA       ASP   3  -5.736 -11.266  -4.245
   17    HB2  ASP   3           2HB      ASP   3  -7.742 -11.882  -6.437
   18    HB3  ASP   3           3HB      ASP   3  -5.984 -12.002  -6.587
   19    HD2  ASP   3           HD       ASP   3  -5.928 -15.102  -5.125
   20    H    CYS   4           H        CYS   4  -4.953  -9.281  -4.332
   21    HA   CYS   4           HA       CYS   4  -5.454  -7.804  -6.750
   22    HB2  CYS   4           2HB      CYS   4  -5.749  -5.641  -5.691
   23    HB3  CYS   4           3HB      CYS   4  -7.049  -6.737  -5.196
   24    H    VAL   5           H        VAL   5  -3.511  -7.462  -7.574
   25    HA   VAL   5           HA       VAL   5  -1.263  -7.476  -5.677
   26    HB   VAL   5           HB       VAL   5  -1.339  -9.503  -7.031
   27   HG11  VAL   5          1HG1      VAL   5  -0.912  -9.416  -9.449
   28   HG12  VAL   5          2HG1      VAL   5  -2.453  -8.681  -9.004
   29   HG13  VAL   5          3HG1      VAL   5  -1.068  -7.659  -9.394
   30   HG21  VAL   5          3HG2      VAL   5   0.816  -8.689  -6.295
   31   HG22  VAL   5          1HG2      VAL   5   0.960  -9.437  -7.887
   32   HG23  VAL   5          2HG2      VAL   5   0.955  -7.678  -7.734
   33    H    GLY   6           H        GLY   6  -0.042  -5.771  -5.605
   34    HA2  GLY   6           2HA      GLY   6   1.396  -4.203  -6.766
   35    HA3  GLY   6           3HA      GLY   6   0.115  -4.037  -7.977
   36    H    ARG   7           H        ARG   7  -1.503  -2.600  -7.650
   37    HA   ARG   7           HA       ARG   7  -1.463  -1.130  -5.135
   38    HB2  ARG   7           2HB      ARG   7   0.004   0.135  -6.550
   39    HB3  ARG   7           3HB      ARG   7  -1.181   0.117  -7.864
   40    HG2  ARG   7           2HG      ARG   7  -2.598   1.633  -6.794
   41    HG3  ARG   7           3HG      ARG   7  -1.820   1.372  -5.223
   42    HD2  ARG   7           2HD      ARG   7  -1.219   3.546  -6.223
   43    HD3  ARG   7           3HD      ARG   7   0.182   2.494  -5.976
   44    HE   ARG   7           HE       ARG   7  -0.959   2.318  -8.619
   45   HH11  ARG   7          2HH1      ARG   7   1.251   4.091  -6.563
   46   HH12  ARG   7          1HH1      ARG   7   2.274   4.602  -7.877
   47   HH21  ARG   7          2HH2      ARG   7   0.384   2.967 -10.351
   48   HH22  ARG   7          1HH2      ARG   7   1.775   3.963 -10.032
   49    H    LYS   8           H        LYS   8  -3.422  -0.902  -4.341
   50    HA   LYS   8           HA       LYS   8  -5.705  -0.685  -6.169
   51    HB2  LYS   8           2HB      LYS   8  -5.409  -1.282  -3.243
   52    HB3  LYS   8           3HB      LYS   8  -6.928  -0.586  -3.829
   53    HG2  LYS   8           2HG      LYS   8  -5.674  -3.143  -4.843
   54    HG3  LYS   8           3HG      LYS   8  -7.030  -3.029  -3.708
   55    HD2  LYS   8           2HD      LYS   8  -8.370  -1.853  -5.391
   56    HD3  LYS   8           3HD      LYS   8  -7.011  -1.944  -6.523
   57    HE2  LYS   8           2HE      LYS   8  -7.140  -4.371  -6.554
   58    HE3  LYS   8           3HE      LYS   8  -8.421  -4.330  -5.333
   59    HZ1  LYS   8           3HZ      LYS   8  -8.633  -3.137  -8.048
   60    HZ2  LYS   8           1HZ      LYS   8  -9.865  -3.208  -6.882
   61    HZ3  LYS   8           2HZ      LYS   8  -9.282  -4.635  -7.593
   62    H    ALA   9           H        ALA   9  -6.745   1.247  -6.479
   63    HA   ALA   9           HA       ALA   9  -4.989   3.457  -5.957
   64    HB1  ALA   9           1HB      ALA   9  -6.356   4.687  -7.506
   65    HB2  ALA   9           2HB      ALA   9  -6.027   3.081  -8.155
   66    HB3  ALA   9           3HB      ALA   9  -7.602   3.440  -7.449
   67    H    CYS  10           H        CYS  10  -5.079   4.652  -4.239
   68    HA   CYS  10           HA       CYS  10  -7.663   5.757  -3.423
   69    HB2  CYS  10           2HB      CYS  10  -7.108   4.033  -1.772
   70    HB3  CYS  10           3HB      CYS  10  -5.508   4.753  -1.533
   71    H    THR  11           H        THR  11  -7.499   7.951  -2.748
   72    HA   THR  11           HA       THR  11  -4.889   9.211  -2.721
   73    HB   THR  11           HB       THR  11  -5.981  10.924  -4.478
   74    HG1  THR  11           1HG      THR  11  -6.679   9.135  -6.175
   75   HG21  THR  11          3HG2      THR  11  -3.746   9.992  -4.635
   76   HG22  THR  11          1HG2      THR  11  -4.562   9.862  -6.195
   77   HG23  THR  11          2HG2      THR  11  -4.400   8.440  -5.163
   78    H    ARG  12           H        ARG  12  -6.201   9.214  -0.567
   79    HA   ARG  12           HA       ARG  12  -7.826  11.639  -0.347
   80    HB2  ARG  12           2HB      ARG  12  -6.963  10.109   2.059
   81    HB3  ARG  12           3HB      ARG  12  -8.528  10.851   1.698
   82    HG2  ARG  12           2HG      ARG  12  -9.117   9.018   0.232
   83    HG3  ARG  12           3HG      ARG  12  -7.514   8.298   0.473
   84    HD2  ARG  12           2HD      ARG  12  -9.746   8.606   2.480
   85    HD3  ARG  12           3HD      ARG  12  -8.966   7.122   1.914
   86    HE   ARG  12           HE       ARG  12  -6.909   8.419   3.062
   87   HH11  ARG  12          2HH1      ARG  12 -10.137   7.621   4.174
   88   HH12  ARG  12          1HH1      ARG  12  -9.704   7.673   5.855
   89   HH21  ARG  12          2HH2      ARG  12  -6.354   8.530   5.289
   90   HH22  ARG  12          1HH2      ARG  12  -7.571   8.192   6.489
   91    H    GLU  13           H        GLU  13  -4.699  10.956  -0.636
   92    HA   GLU  13           HA       GLU  13  -3.459  13.005   0.804
   93    HB2  GLU  13           2HB      GLU  13  -4.336  11.836   2.759
   94    HB3  GLU  13           3HB      GLU  13  -3.637  10.319   2.179
   95    HG2  GLU  13           2HG      GLU  13  -1.394  11.180   2.535
   96    HG3  GLU  13           3HG      GLU  13  -2.076  12.724   3.069
   97    HE2  GLU  13           HE       GLU  13  -2.491   9.619   5.525
   98    H    TRP  14           H        TRP  14  -1.100  12.786   0.606
   99    HA   TRP  14           HA       TRP  14  -0.270  10.417  -0.925
  100    HB2  TRP  14           2HB      TRP  14  -0.509  12.390  -2.424
  101    HB3  TRP  14           3HB      TRP  14   0.687  13.244  -1.448
  102    HD1  TRP  14           1HD      TRP  14   3.230  12.718  -1.858
  103    HE1  TRP  14           1HE      TRP  14   4.490  11.303  -3.606
  104    HE3  TRP  14           3HE      TRP  14  -0.729  10.147  -3.830
  105    HZ2  TRP  14           2HZ      TRP  14   3.882   9.361  -5.552
  106    HZ3  TRP  14           3HZ      TRP  14  -0.297   8.524  -5.628
  107    HH2  TRP  14           2HH      TRP  14   1.960   8.141  -6.471
  108    H    TYR  15           H        TYR  15   0.570   9.484   0.924
  109    HA   TYR  15           HA       TYR  15   3.237  10.509   1.537
  110    HB2  TYR  15           2HB      TYR  15   1.331   9.017   3.359
  111    HB3  TYR  15           3HB      TYR  15   3.074   9.007   3.628
  112    HD1  TYR  15           1HD      TYR  15   0.043  11.043   3.755
  113    HD2  TYR  15           2HD      TYR  15   4.242  10.986   4.415
  114    HE1  TYR  15           1HE      TYR  15  -0.136  13.124   5.048
  115    HE2  TYR  15           2HE      TYR  15   4.073  13.070   5.712
  116    HH   TYR  15           HH       TYR  15   1.047  14.340   6.730
  117    HA   PRO  16           HA       PRO  16   3.366   6.740  -0.844
  118    HB2  PRO  16           2HB      PRO  16   5.727   7.134  -2.092
  119    HB3  PRO  16           3HB      PRO  16   4.273   8.033  -2.516
  120    HG2  PRO  16           2HG      PRO  16   6.592   8.854  -0.818
  121    HG3  PRO  16           3HG      PRO  16   5.679   9.804  -2.049
  122    HD2  PRO  16           2HD      PRO  16   5.317   9.977   0.701
  123    HD3  PRO  16           3HD      PRO  16   4.117  10.434  -0.518
  124    H    VAL  17           H        VAL  17   4.167   4.742  -0.427
  125    HA   VAL  17           HA       VAL  17   6.553   4.463   1.235
  126    HB   VAL  17           HB       VAL  17   5.471   2.936   2.807
  127   HG11  VAL  17          1HG1      VAL  17   4.073   5.605   2.718
  128   HG12  VAL  17          2HG1      VAL  17   4.207   4.547   4.124
  129   HG13  VAL  17          3HG1      VAL  17   5.654   5.283   3.434
  130   HG21  VAL  17          3HG2      VAL  17   3.676   2.089   1.438
  131   HG22  VAL  17          1HG2      VAL  17   3.006   2.784   2.915
  132   HG23  VAL  17          2HG2      VAL  17   2.910   3.680   1.398
  133    H    CYS  18           H        CYS  18   6.642   1.891   1.729
  134    HA   CYS  18           HA       CYS  18   6.163   0.516  -0.827
  135    HB2  CYS  18           2HB      CYS  18   8.471   1.066  -0.806
  136    HB3  CYS  18           3HB      CYS  18   8.646   0.550   0.882
  137    H    GLY  19           H        GLY  19   5.255  -1.444  -0.667
  138    HA2  GLY  19           2HA      GLY  19   4.589  -2.515   1.950
  139    HA3  GLY  19           3HA      GLY  19   4.112  -3.180   0.381
  140    H    SER  20           H        SER  20   5.196  -4.566   2.698
  141    HA   SER  20           HA       SER  20   7.947  -4.923   2.649
  142    HB2  SER  20           2HB      SER  20   6.507  -5.524   4.541
  143    HB3  SER  20           3HB      SER  20   5.856  -6.877   3.603
  144    HG   SER  20           HG       SER  20   8.356  -7.298   3.453
  145    H    ASP  21           H        ASP  21   5.677  -6.207   0.409
  146    HA   ASP  21           HA       ASP  21   7.509  -8.341  -0.377
  147    HB2  ASP  21           2HB      ASP  21   5.844  -8.949  -2.051
  148    HB3  ASP  21           3HB      ASP  21   5.087  -8.776  -0.461
  149    HD2  ASP  21           HD       ASP  21   3.371  -5.891  -1.472
  150    H    GLY  22           H        GLY  22   7.611  -5.170  -0.711
  151    HA2  GLY  22           2HA      GLY  22   9.208  -4.017  -1.983
  152    HA3  GLY  22           3HA      GLY  22   9.223  -5.364  -3.131
  153    H    VAL  23           H        VAL  23   6.264  -3.817  -2.011
  154    HA   VAL  23           HA       VAL  23   5.791  -3.132  -4.835
  155    HB   VAL  23           HB       VAL  23   4.272  -4.799  -3.974
  156   HG11  VAL  23          1HG1      VAL  23   2.664  -4.229  -2.185
  157   HG12  VAL  23          2HG1      VAL  23   4.338  -4.322  -1.632
  158   HG13  VAL  23          3HG1      VAL  23   3.579  -2.751  -1.888
  159   HG21  VAL  23          3HG2      VAL  23   3.385  -3.293  -5.627
  160   HG22  VAL  23          1HG2      VAL  23   2.127  -3.680  -4.451
  161   HG23  VAL  23          2HG2      VAL  23   2.952  -2.123  -4.378
  162    H    THR  24           H        THR  24   4.933  -1.163  -5.444
  163    HA   THR  24           HA       THR  24   5.673   1.067  -3.781
  164    HB   THR  24           HB       THR  24   4.169   1.345  -6.353
  165    HG1  THR  24           1HG      THR  24   6.969   0.778  -6.287
  166   HG21  THR  24          3HG2      THR  24   6.505   2.835  -5.171
  167   HG22  THR  24          1HG2      THR  24   4.818   3.351  -5.136
  168   HG23  THR  24          2HG2      THR  24   5.677   3.237  -6.674
  169    H    TYR  25           H        TYR  25   4.292   2.025  -2.372
  170    HA   TYR  25           HA       TYR  25   1.439   1.943  -3.007
  171    HB2  TYR  25           2HB      TYR  25   2.928   1.951  -0.396
  172    HB3  TYR  25           3HB      TYR  25   1.237   2.399  -0.499
  173    HD1  TYR  25           1HD      TYR  25  -0.110   0.678  -2.170
  174    HD2  TYR  25           2HD      TYR  25   3.230  -0.240   0.284
  175    HE1  TYR  25           1HE      TYR  25  -0.754  -1.689  -2.201
  176    HE2  TYR  25           2HE      TYR  25   2.594  -2.613   0.262
  177    HH   TYR  25           HH       TYR  25   0.243  -3.857  -1.895
  178    H    SER  26           H        SER  26   0.332   3.721  -3.185
  179    HA   SER  26           HA       SER  26   1.690   6.176  -3.649
  180    HB2  SER  26           2HB      SER  26  -1.256   5.468  -3.565
  181    HB3  SER  26           3HB      SER  26  -0.615   7.021  -4.123
  182    HG   SER  26           HG       SER  26  -0.446   6.066  -5.982
  183    H    ASN  27           H        ASN  27  -0.030   4.848  -0.947
  184    HA   ASN  27           HA       ASN  27   0.714   6.897   0.820
  185    HB2  ASN  27           2HB      ASN  27  -1.537   7.861   1.310
  186    HB3  ASN  27           3HB      ASN  27  -0.917   8.295  -0.287
  187   HD21  ASN  27          1HD2      ASN  27  -2.870   8.717  -1.202
  188   HD22  ASN  27          2HD2      ASN  27  -4.042   7.484  -1.546
  189    HA   PRO  28           HA       PRO  28  -0.301   3.988   3.993
  190    HB2  PRO  28           2HB      PRO  28  -2.244   5.960   5.173
  191    HB3  PRO  28           3HB      PRO  28  -0.943   5.048   5.941
  192    HG2  PRO  28           2HG      PRO  28  -0.674   7.634   5.339
  193    HG3  PRO  28           3HG      PRO  28   0.708   6.489   5.163
  194    HD2  PRO  28           2HD      PRO  28  -1.025   7.759   3.080
  195    HD3  PRO  28           3HD      PRO  28   0.686   7.309   3.013
  196    H    CYS  29           H        CYS  29  -3.185   5.767   2.897
  197    HA   CYS  29           HA       CYS  29  -5.149   3.900   3.512
  198    HB2  CYS  29           2HB      CYS  29  -5.771   6.091   2.849
  199    HB3  CYS  29           3HB      CYS  29  -4.944   5.933   1.289
  200    H    ASN  30           H        ASN  30  -3.272   4.234   0.543
  201    HA   ASN  30           HA       ASN  30  -4.376   2.130  -0.921
  202    HB2  ASN  30           2HB      ASN  30  -3.033   3.774  -1.992
  203    HB3  ASN  30           3HB      ASN  30  -1.670   3.471  -0.910
  204   HD21  ASN  30          1HD2      ASN  30  -3.390   0.770  -2.277
  205   HD22  ASN  30          2HD2      ASN  30  -2.148   0.326  -3.390
  206    H    PHE  31           H        PHE  31  -1.608   2.152   1.325
  207    HA   PHE  31           HA       PHE  31  -0.975  -0.578   1.041
  208    HB2  PHE  31           1HB      PHE  31   0.664   0.941   1.936
  209    HB3  PHE  31           2HB      PHE  31  -0.414   1.405   3.256
  210    HD1  PHE  31           1HD      PHE  31  -0.742  -0.033   5.180
  211    HD2  PHE  31           2HD      PHE  31   1.890  -1.173   2.031
  212    HE1  PHE  31           1HE      PHE  31   0.256  -1.748   6.636
  213    HE2  PHE  31           2HE      PHE  31   2.889  -2.880   3.483
  214    HZ   PHE  31           HZ       PHE  31   2.073  -3.174   5.780
  215    H    SER  32           H        SER  32  -2.950   1.181   3.434
  216    HA   SER  32           HA       SER  32  -3.416  -1.070   5.069
  217    HB2  SER  32           2HB      SER  32  -5.285   0.332   6.037
  218    HB3  SER  32           3HB      SER  32  -3.681   1.082   6.051
  219    HG   SER  32           HG       SER  32  -5.492   2.427   5.297
  220    H    ALA  33           H        ALA  33  -5.442   0.456   2.575
  221    HA   ALA  33           HA       ALA  33  -7.630  -1.302   2.925
  222    HB1  ALA  33           1HB      ALA  33  -7.836   0.892   1.843
  223    HB2  ALA  33           2HB      ALA  33  -6.896   0.297   0.476
  224    HB3  ALA  33           3HB      ALA  33  -8.474  -0.406   0.835
  225    H    GLN  34           H        GLN  34  -4.904  -1.326   0.630
  226    HA   GLN  34           HA       GLN  34  -5.851  -3.608  -0.763
  227    HB2  GLN  34           2HB      GLN  34  -4.326  -2.160  -1.873
  228    HB3  GLN  34           3HB      GLN  34  -3.123  -2.335  -0.587
  229    HG2  GLN  34           2HG      GLN  34  -2.507  -4.466  -1.260
  230    HG3  GLN  34           3HG      GLN  34  -4.015  -4.717  -2.148
  231   HE21  GLN  34          1HE2      GLN  34  -2.785  -5.362  -3.951
  232   HE22  GLN  34          2HE2      GLN  34  -1.974  -4.204  -4.931
  233    H    GLN  35           H        GLN  35  -3.854  -3.162   2.061
  234    HA   GLN  35           HA       GLN  35  -2.959  -5.861   2.219
  235    HB2  GLN  35           2HB      GLN  35  -2.875  -3.446   3.943
  236    HB3  GLN  35           3HB      GLN  35  -2.661  -5.013   4.734
  237    HG2  GLN  35           2HG      GLN  35  -0.610  -3.630   3.932
  238    HG3  GLN  35           3HG      GLN  35  -0.625  -5.385   3.780
  239   HE21  GLN  35          1HE2      GLN  35   0.868  -3.336   2.433
  240   HE22  GLN  35          2HE2      GLN  35   0.646  -3.622   0.740
  241    H    GLU  36           H        GLU  36  -5.612  -4.053   3.756
  242    HA   GLU  36           HA       GLU  36  -6.429  -6.221   5.398
  243    HB2  GLU  36           2HB      GLU  36  -8.424  -4.982   5.874
  244    HB3  GLU  36           3HB      GLU  36  -7.071  -3.843   5.814
  245    HG2  GLU  36           2HG      GLU  36  -7.733  -3.049   3.652
  246    HG3  GLU  36           3HG      GLU  36  -8.969  -4.309   3.530
  247    HE2  GLU  36           HE       GLU  36 -10.133  -0.999   5.001
  248    H    GLN  37           H        GLN  37  -7.084  -5.321   2.097
  249    HA   GLN  37           HA       GLN  37  -9.269  -7.196   1.805
  250    HB2  GLN  37           2HB      GLN  37  -7.691  -5.599  -0.214
  251    HB3  GLN  37           3HB      GLN  37  -9.089  -6.608  -0.608
  252    HG2  GLN  37           2HG      GLN  37 -10.575  -5.190   0.565
  253    HG3  GLN  37           3HG      GLN  37  -9.231  -4.320   1.324
  254   HE21  GLN  37          1HE2      GLN  37  -7.659  -4.340  -1.130
  255   HE22  GLN  37          2HE2      GLN  37  -8.349  -3.117  -2.138
  256    H    CYS  38           H        CYS  38  -5.801  -7.185   1.245
  257    HA   CYS  38           HA       CYS  38  -6.105  -9.705  -0.225
  258    HB2  CYS  38           2HB      CYS  38  -4.424  -7.325  -0.971
  259    HB3  CYS  38           3HB      CYS  38  -4.296  -8.905  -1.758
  260    H    ASP  39           H        ASP  39  -3.357  -7.709   1.011
  261    HA   ASP  39           HA       ASP  39  -2.303 -10.248   2.086
  262    HB2  ASP  39           2HB      ASP  39  -1.063  -9.263   0.069
  263    HB3  ASP  39           3HB      ASP  39  -0.532  -7.989   1.177
  264    HD2  ASP  39           HD       ASP  39   1.475 -11.263   1.211
  265    HA   PRO  40           HA       PRO  40  -2.743  -7.526   5.722
  266    HB2  PRO  40           2HB      PRO  40  -3.127 -10.078   7.144
  267    HB3  PRO  40           3HB      PRO  40  -4.209  -8.697   7.003
  268    HG2  PRO  40           2HG      PRO  40  -4.657 -11.079   5.790
  269    HG3  PRO  40           3HG      PRO  40  -5.210  -9.511   5.090
  270    HD2  PRO  40           2HD      PRO  40  -2.824 -11.208   4.381
  271    HD3  PRO  40           3HD      PRO  40  -3.954 -10.351   3.318
  272    H    ASN  41           H        ASN  41  -0.520  -9.898   4.758
  273    HA   ASN  41           HA       ASN  41   0.703 -10.181   7.378
  274    HB2  ASN  41           2HB      ASN  41   1.160 -11.581   4.750
  275    HB3  ASN  41           3HB      ASN  41   2.151 -11.869   6.188
  276   HD21  ASN  41          1HD2      ASN  41   1.182 -12.728   8.047
  277   HD22  ASN  41          2HD2      ASN  41  -0.281 -13.653   7.953
  278    H    ILE  42           H        ILE  42   1.361  -8.446   4.420
  279    HA   ILE  42           HA       ILE  42   4.152  -8.143   5.071
  280    HB   ILE  42           HB       ILE  42   4.322  -6.569   3.251
  281   HG12  ILE  42          2HG1      ILE  42   1.318  -6.817   3.114
  282   HG13  ILE  42          3HG1      ILE  42   2.250  -5.362   3.502
  283   HG21  ILE  42          1HG2      ILE  42   3.619  -8.004   1.392
  284   HG22  ILE  42          2HG2      ILE  42   4.424  -8.912   2.675
  285   HG23  ILE  42          3HG2      ILE  42   2.668  -8.974   2.517
  286   HD11  ILE  42          3HD1      ILE  42   2.152  -6.767   0.847
  287   HD12  ILE  42          1HD1      ILE  42   1.445  -5.200   1.257
  288   HD13  ILE  42          2HD1      ILE  42   3.201  -5.399   1.225
  289    H    THR  43           H        THR  43   5.130  -6.042   5.313
  290    HA   THR  43           HA       THR  43   3.532  -4.218   6.984
  291    HB   THR  43           HB       THR  43   5.752  -3.778   8.177
  292    HG1  THR  43           1HG      THR  43   7.383  -4.801   7.286
  293   HG21  THR  43          3HG2      THR  43   4.524  -6.521   8.469
  294   HG22  THR  43          1HG2      THR  43   3.918  -5.042   9.213
  295   HG23  THR  43          2HG2      THR  43   5.491  -5.685   9.682
  296    H    ILE  44           H        ILE  44   4.544  -1.981   7.086
  297    HA   ILE  44           HA       ILE  44   5.287  -1.052   4.500
  298    HB   ILE  44           HB       ILE  44   5.609   0.319   7.180
  299   HG12  ILE  44          2HG1      ILE  44   3.424   0.511   5.088
  300   HG13  ILE  44          3HG1      ILE  44   3.279  -0.280   6.667
  301   HG21  ILE  44          1HG2      ILE  44   5.712   2.396   5.866
  302   HG22  ILE  44          2HG2      ILE  44   7.050   1.310   5.497
  303   HG23  ILE  44          3HG2      ILE  44   5.693   1.444   4.381
  304   HD11  ILE  44          3HD1      ILE  44   3.769   2.652   6.232
  305   HD12  ILE  44          1HD1      ILE  44   2.231   1.914   6.681
  306   HD13  ILE  44          2HD1      ILE  44   3.599   1.848   7.790
  307    H    ALA  45           H        ALA  45   7.177  -1.278   3.545
  308    HA   ALA  45           HA       ALA  45   9.437  -2.315   5.002
  309    HB1  ALA  45           1HB      ALA  45  10.510  -2.497   2.827
  310    HB2  ALA  45           2HB      ALA  45   8.871  -3.144   2.759
  311    HB3  ALA  45           3HB      ALA  45   9.218  -1.550   2.088
  312    H    HIS  46           H        HIS  46   8.794   0.618   3.100
  313    HA   HIS  46           HA       HIS  46  10.383   2.186   4.877
  314    HB2  HIS  46           2HB      HIS  46  12.086   2.941   3.380
  315    HB3  HIS  46           3HB      HIS  46  12.133   1.177   3.380
  316    HD1  HIS  46           1HD      HIS  46  11.245   4.090   1.181
  317    HD2  HIS  46           2HD      HIS  46  11.605  -0.045   0.936
  318    HE1  HIS  46           1HE      HIS  46  11.159   3.547  -1.271
  319    HE2  HIS  46           2HE      HIS  46  11.633   1.073  -1.397
  320    H    MET  47           H        MET  47  10.320   4.489   4.312
  321    HA   MET  47           HA       MET  47   7.810   5.148   3.008
  322    HB2  MET  47           2HB      MET  47   9.864   6.882   4.410
  323    HB3  MET  47           3HB      MET  47   8.353   7.486   3.709
  324    HG2  MET  47           2HG      MET  47   7.110   5.919   5.225
  325    HG3  MET  47           3HG      MET  47   8.654   5.565   6.004
  326    HE1  MET  47           3HE      MET  47   6.655   9.726   6.020
  327    HE2  MET  47           1HE      MET  47   7.447   9.062   4.593
  328    HE3  MET  47           2HE      MET  47   5.984   8.305   5.222
  329    H    GLY  48           H        GLY  48   7.672   6.667   1.269
  330    HA2  GLY  48           2HA      GLY  48   8.541   7.639  -0.718
  331    HA3  GLY  48           3HA      GLY  48  10.058   6.772  -0.435
  332    H    GLU  49           H        GLU  49   8.408   6.798  -2.860
  333    HA   GLU  49           HA       GLU  49   6.836   4.476  -3.025
  334    HB2  GLU  49           2HB      GLU  49   6.875   4.738  -5.425
  335    HB3  GLU  49           3HB      GLU  49   6.664   6.318  -4.654
  336    HG2  GLU  49           2HG      GLU  49   9.342   5.324  -5.617
  337    HG3  GLU  49           3HG      GLU  49   8.214   6.211  -6.653
  338    HE2  GLU  49           HE       GLU  49  10.389   8.229  -4.110
  339    H    CYS  50           H        CYS  50   7.265   2.427  -3.603
  340    HA   CYS  50           HA       CYS  50   9.983   1.542  -3.280
  341    HB2  CYS  50           1HB      CYS  50   7.654   0.500  -2.483
  342    HB3  CYS  50           2HB      CYS  50   7.853  -0.379  -4.009
  Start of MODEL   13
    1    H1   ALA   1           1H       ALA   1 -12.631  -7.888  -0.430
    2    H2   ALA   1           2H       ALA   1 -13.584  -8.986  -1.300
    3    H3   ALA   1           3H       ALA   1 -13.302  -7.434  -1.922
    4    HA   ALA   1           HA       ALA   1 -11.995  -9.182  -3.009
    5    HB1  ALA   1           2HB      ALA   1 -11.245  -6.836  -2.989
    6    HB2  ALA   1           3HB      ALA   1 -10.337  -7.163  -1.512
    7    HB3  ALA   1           1HB      ALA   1  -9.904  -7.985  -3.013
    8    H    GLU   2           H        GLU   2 -10.612 -10.833  -2.887
    9    HA   GLU   2           HA       GLU   2  -9.254 -11.367  -0.330
   10    HB2  GLU   2           2HB      GLU   2 -11.168 -12.919  -0.598
   11    HB3  GLU   2           3HB      GLU   2 -10.499 -13.448  -2.148
   12    HG2  GLU   2           2HG      GLU   2 -10.019 -15.051  -0.377
   13    HG3  GLU   2           3HG      GLU   2  -8.539 -14.335  -1.031
   14    HE2  GLU   2           HE       GLU   2  -7.605 -13.394   2.115
   15    H    ASP   3           H        ASP   3  -9.420 -11.783  -3.820
   16    HA   ASP   3           HA       ASP   3  -6.488 -11.923  -3.863
   17    HB2  ASP   3           2HB      ASP   3  -6.731 -12.782  -6.186
   18    HB3  ASP   3           3HB      ASP   3  -7.441 -13.844  -4.965
   19    HD2  ASP   3           HD       ASP   3 -10.672 -13.305  -6.173
   20    H    CYS   4           H        CYS   4  -5.661 -10.007  -4.122
   21    HA   CYS   4           HA       CYS   4  -6.324  -8.512  -6.498
   22    HB2  CYS   4           2HB      CYS   4  -6.221  -6.386  -4.894
   23    HB3  CYS   4           3HB      CYS   4  -7.743  -7.202  -5.291
   24    H    VAL   5           H        VAL   5  -4.422  -8.157  -7.433
   25    HA   VAL   5           HA       VAL   5  -2.098  -7.880  -5.647
   26    HB   VAL   5           HB       VAL   5  -2.059 -10.029  -6.833
   27   HG11  VAL   5          1HG1      VAL   5  -3.283  -9.400  -8.841
   28   HG12  VAL   5          2HG1      VAL   5  -1.938  -8.376  -9.347
   29   HG13  VAL   5          3HG1      VAL   5  -1.727 -10.124  -9.249
   30   HG21  VAL   5          3HG2      VAL   5   0.040  -9.024  -6.219
   31   HG22  VAL   5          1HG2      VAL   5   0.209  -9.828  -7.779
   32   HG23  VAL   5          2HG2      VAL   5   0.059  -8.073  -7.705
   33    H    GLY   6           H        GLY   6  -1.004  -6.074  -5.800
   34    HA2  GLY   6           2HA      GLY   6   0.277  -4.683  -7.436
   35    HA3  GLY   6           3HA      GLY   6  -1.278  -4.473  -8.251
   36    H    ARG   7           H        ARG   7  -2.515  -2.818  -7.682
   37    HA   ARG   7           HA       ARG   7  -1.903  -1.472  -5.151
   38    HB2  ARG   7           2HB      ARG   7  -0.699  -0.297  -6.870
   39    HB3  ARG   7           3HB      ARG   7  -2.150  -0.200  -7.877
   40    HG2  ARG   7           2HG      ARG   7  -3.201   1.318  -6.335
   41    HG3  ARG   7           3HG      ARG   7  -1.864   1.124  -5.189
   42    HD2  ARG   7           2HD      ARG   7  -1.712   3.233  -6.468
   43    HD3  ARG   7           3HD      ARG   7  -0.324   2.164  -6.730
   44    HE   ARG   7           HE       ARG   7  -1.959   1.515  -8.783
   45   HH11  ARG   7          2HH1      ARG   7  -0.962   4.648  -7.574
   46   HH12  ARG   7          1HH1      ARG   7  -0.832   5.362  -9.152
   47   HH21  ARG   7          2HH2      ARG   7  -1.808   2.440 -10.854
   48   HH22  ARG   7          1HH2      ARG   7  -1.328   4.106 -11.023
   49    H    LYS   8           H        LYS   8  -3.593  -0.760  -4.032
   50    HA   LYS   8           HA       LYS   8  -6.259  -0.801  -5.236
   51    HB2  LYS   8           2HB      LYS   8  -5.561  -1.621  -2.799
   52    HB3  LYS   8           3HB      LYS   8  -5.721   0.103  -2.423
   53    HG2  LYS   8           2HG      LYS   8  -7.898  -1.651  -3.567
   54    HG3  LYS   8           3HG      LYS   8  -7.746  -1.152  -1.874
   55    HD2  LYS   8           2HD      LYS   8  -7.946   1.213  -2.568
   56    HD3  LYS   8           3HD      LYS   8  -8.168   0.673  -4.240
   57    HE2  LYS   8           2HE      LYS   8 -10.336   1.117  -3.352
   58    HE3  LYS   8           3HE      LYS   8 -10.156  -0.640  -3.470
   59    HZ1  LYS   8           3HZ      LYS   8 -11.129  -0.140  -1.378
   60    HZ2  LYS   8           1HZ      LYS   8  -9.948   1.025  -1.015
   61    HZ3  LYS   8           2HZ      LYS   8  -9.537  -0.616  -1.074
   62    H    ALA   9           H        ALA   9  -7.092   1.096  -6.029
   63    HA   ALA   9           HA       ALA   9  -5.332   3.361  -5.964
   64    HB1  ALA   9           1HB      ALA   9  -6.546   2.739  -7.995
   65    HB2  ALA   9           2HB      ALA   9  -8.070   3.119  -7.193
   66    HB3  ALA   9           3HB      ALA   9  -6.893   4.397  -7.501
   67    H    CYS  10           H        CYS  10  -5.239   4.653  -4.338
   68    HA   CYS  10           HA       CYS  10  -7.699   5.963  -3.456
   69    HB2  CYS  10           2HB      CYS  10  -7.134   4.389  -1.678
   70    HB3  CYS  10           3HB      CYS  10  -5.468   4.987  -1.639
   71    H    THR  11           H        THR  11  -7.340   8.211  -2.994
   72    HA   THR  11           HA       THR  11  -4.681   9.271  -3.260
   73    HB   THR  11           HB       THR  11  -6.604  10.225  -5.365
   74    HG1  THR  11           1HG      THR  11  -5.076   7.858  -5.361
   75   HG21  THR  11          3HG2      THR  11  -4.543  10.892  -6.473
   76   HG22  THR  11          1HG2      THR  11  -3.594  10.127  -5.200
   77   HG23  THR  11          2HG2      THR  11  -4.592  11.532  -4.830
   78    H    ARG  12           H        ARG  12  -5.928   9.650  -1.095
   79    HA   ARG  12           HA       ARG  12  -7.439  12.138  -1.220
   80    HB2  ARG  12           2HB      ARG  12  -7.788  11.851   1.169
   81    HB3  ARG  12           3HB      ARG  12  -8.207  10.360   0.306
   82    HG2  ARG  12           2HG      ARG  12  -6.032   9.389   0.951
   83    HG3  ARG  12           3HG      ARG  12  -5.685  10.862   1.876
   84    HD2  ARG  12           2HD      ARG  12  -7.689  10.483   3.245
   85    HD3  ARG  12           3HD      ARG  12  -8.019   9.006   2.326
   86    HE   ARG  12           HE       ARG  12  -5.412   9.051   3.563
   87   HH11  ARG  12          2HH1      ARG  12  -8.796   8.210   3.923
   88   HH12  ARG  12          1HH1      ARG  12  -8.517   7.139   5.263
   89   HH21  ARG  12          2HH2      ARG  12  -5.059   7.660   5.374
   90   HH22  ARG  12          1HH2      ARG  12  -6.418   6.824   6.081
   91    H    GLU  13           H        GLU  13  -4.298  10.974  -0.829
   92    HA   GLU  13           HA       GLU  13  -3.075  13.508  -0.685
   93    HB2  GLU  13           2HB      GLU  13  -3.924  13.277   1.678
   94    HB3  GLU  13           3HB      GLU  13  -2.890  11.844   1.845
   95    HG2  GLU  13           2HG      GLU  13  -0.905  13.161   1.560
   96    HG3  GLU  13           3HG      GLU  13  -1.872  14.597   1.187
   97    HE2  GLU  13           HE       GLU  13  -1.844  13.423   4.987
   98    H    TRP  14           H        TRP  14  -0.687  13.247  -0.785
   99    HA   TRP  14           HA       TRP  14   0.021  10.481  -1.476
  100    HB2  TRP  14           2HB      TRP  14   0.158  12.096  -3.354
  101    HB3  TRP  14           3HB      TRP  14   1.326  13.038  -2.427
  102    HD1  TRP  14           1HD      TRP  14   3.771  11.847  -1.965
  103    HE1  TRP  14           1HE      TRP  14   5.083  10.160  -3.396
  104    HE3  TRP  14           3HE      TRP  14  -0.027  10.184  -4.955
  105    HZ2  TRP  14           2HZ      TRP  14   4.585   8.375  -5.499
  106    HZ3  TRP  14           3HZ      TRP  14   0.486   8.482  -6.658
  107    HH2  TRP  14           2HH      TRP  14   2.746   7.600  -6.921
  108    H    TYR  15           H        TYR  15   0.601   9.863   0.601
  109    HA   TYR  15           HA       TYR  15   3.327  10.723   1.233
  110    HB2  TYR  15           2HB      TYR  15   1.114   9.848   3.099
  111    HB3  TYR  15           3HB      TYR  15   2.805   9.586   3.529
  112    HD1  TYR  15           2HD      TYR  15   0.638  12.381   2.305
  113    HD2  TYR  15           1HD      TYR  15   3.842  11.174   4.822
  114    HE1  TYR  15           2HE      TYR  15   0.790  14.666   3.192
  115    HE2  TYR  15           1HE      TYR  15   4.005  13.457   5.722
  116    HH   TYR  15           HH       TYR  15   1.596  15.836   5.124
  117    HA   PRO  16           HA       PRO  16   3.170   6.659  -0.534
  118    HB2  PRO  16           2HB      PRO  16   5.575   6.636  -1.738
  119    HB3  PRO  16           3HB      PRO  16   4.246   7.643  -2.310
  120    HG2  PRO  16           2HG      PRO  16   6.625   8.381  -0.660
  121    HG3  PRO  16           3HG      PRO  16   5.834   9.283  -2.007
  122    HD2  PRO  16           2HD      PRO  16   5.469   9.762   0.730
  123    HD3  PRO  16           3HD      PRO  16   4.383  10.287  -0.567
  124    H    VAL  17           H        VAL  17   3.758   4.665   0.104
  125    HA   VAL  17           HA       VAL  17   6.111   4.377   1.837
  126    HB   VAL  17           HB       VAL  17   4.963   2.800   3.298
  127   HG11  VAL  17          1HG1      VAL  17   3.521   4.337   4.519
  128   HG12  VAL  17          2HG1      VAL  17   4.981   5.150   3.953
  129   HG13  VAL  17          3HG1      VAL  17   3.450   5.401   3.114
  130   HG21  VAL  17          3HG2      VAL  17   2.453   3.475   1.767
  131   HG22  VAL  17          1HG2      VAL  17   3.327   1.943   1.698
  132   HG23  VAL  17          2HG2      VAL  17   2.557   2.453   3.202
  133    H    CYS  18           H        CYS  18   6.657   1.968   2.051
  134    HA   CYS  18           HA       CYS  18   6.127   0.680  -0.543
  135    HB2  CYS  18           2HB      CYS  18   8.406   1.655  -0.284
  136    HB3  CYS  18           3HB      CYS  18   8.692   0.541   1.058
  137    H    GLY  19           H        GLY  19   5.118  -1.208  -0.369
  138    HA2  GLY  19           2HA      GLY  19   4.867  -2.528   2.197
  139    HA3  GLY  19           3HA      GLY  19   4.199  -3.079   0.653
  140    H    SER  20           H        SER  20   5.753  -4.516   2.780
  141    HA   SER  20           HA       SER  20   8.418  -4.852   2.138
  142    HB2  SER  20           2HB      SER  20   6.541  -6.847   3.416
  143    HB3  SER  20           3HB      SER  20   8.309  -6.956   3.429
  144    HG   SER  20           HG       SER  20   8.425  -5.410   4.877
  145    H    ASP  21           H        ASP  21   5.781  -5.988   0.308
  146    HA   ASP  21           HA       ASP  21   7.200  -8.169  -0.937
  147    HB2  ASP  21           2HB      ASP  21   4.721  -8.111  -0.835
  148    HB3  ASP  21           3HB      ASP  21   4.726  -6.675  -1.868
  149    HD2  ASP  21           HD       ASP  21   4.975  -8.585  -4.708
  150    H    GLY  22           H        GLY  22   7.665  -4.943  -0.941
  151    HA2  GLY  22           2HA      GLY  22   9.040  -3.602  -2.243
  152    HA3  GLY  22           3HA      GLY  22   9.163  -4.918  -3.417
  153    H    VAL  23           H        VAL  23   6.132  -3.726  -2.176
  154    HA   VAL  23           HA       VAL  23   5.445  -2.958  -4.931
  155    HB   VAL  23           HB       VAL  23   4.072  -4.739  -4.200
  156   HG11  VAL  23          1HG1      VAL  23   4.453  -4.591  -1.811
  157   HG12  VAL  23          2HG1      VAL  23   3.462  -3.134  -1.726
  158   HG13  VAL  23          3HG1      VAL  23   2.727  -4.679  -2.160
  159   HG21  VAL  23          3HG2      VAL  23   1.821  -3.739  -4.233
  160   HG22  VAL  23          1HG2      VAL  23   2.544  -2.153  -3.955
  161   HG23  VAL  23          2HG2      VAL  23   2.893  -3.034  -5.442
  162    H    THR  24           H        THR  24   4.827  -0.948  -5.405
  163    HA   THR  24           HA       THR  24   5.511   1.055  -3.472
  164    HB   THR  24           HB       THR  24   4.546   1.399  -6.319
  165    HG1  THR  24           1HG      THR  24   6.826   1.477  -6.794
  166   HG21  THR  24          3HG2      THR  24   5.762   3.515  -6.223
  167   HG22  THR  24          1HG2      THR  24   6.181   3.197  -4.541
  168   HG23  THR  24          2HG2      THR  24   4.497   3.444  -4.997
  169    H    TYR  25           H        TYR  25   4.095   1.887  -2.120
  170    HA   TYR  25           HA       TYR  25   1.280   1.943  -2.922
  171    HB2  TYR  25           2HB      TYR  25   2.675   1.906  -0.258
  172    HB3  TYR  25           3HB      TYR  25   0.978   2.314  -0.415
  173    HD1  TYR  25           2HD      TYR  25  -0.261   0.614  -2.183
  174    HD2  TYR  25           1HD      TYR  25   3.015  -0.311   0.358
  175    HE1  TYR  25           2HE      TYR  25  -0.858  -1.761  -2.301
  176    HE2  TYR  25           1HE      TYR  25   2.434  -2.695   0.239
  177    HH   TYR  25           HH       TYR  25   0.032  -3.996  -0.275
  178    H    SER  26           H        SER  26   0.180   3.736  -3.132
  179    HA   SER  26           HA       SER  26   1.602   6.129  -3.619
  180    HB2  SER  26           2HB      SER  26  -0.314   5.487  -4.958
  181    HB3  SER  26           3HB      SER  26  -1.361   5.525  -3.530
  182    HG   SER  26           HG       SER  26  -0.257   7.880  -3.609
  183    H    ASN  27           H        ASN  27  -0.111   4.932  -0.868
  184    HA   ASN  27           HA       ASN  27   0.638   7.024   0.845
  185    HB2  ASN  27           2HB      ASN  27  -1.671   7.969   1.253
  186    HB3  ASN  27           3HB      ASN  27  -0.925   8.440  -0.280
  187   HD21  ASN  27          1HD2      ASN  27  -2.934   8.913  -1.169
  188   HD22  ASN  27          2HD2      ASN  27  -4.032   7.664  -1.662
  189    HA   PRO  28           HA       PRO  28  -0.609   4.277   4.092
  190    HB2  PRO  28           2HB      PRO  28  -2.674   6.244   5.045
  191    HB3  PRO  28           3HB      PRO  28  -1.419   5.389   5.942
  192    HG2  PRO  28           2HG      PRO  28  -1.138   7.947   5.275
  193    HG3  PRO  28           3HG      PRO  28   0.267   6.819   5.208
  194    HD2  PRO  28           2HD      PRO  28  -1.389   7.974   2.992
  195    HD3  PRO  28           3HD      PRO  28   0.342   7.598   3.035
  196    H    CYS  29           H        CYS  29  -3.536   5.887   2.743
  197    HA   CYS  29           HA       CYS  29  -5.290   3.807   3.463
  198    HB2  CYS  29           2HB      CYS  29  -6.836   4.775   1.756
  199    HB3  CYS  29           3HB      CYS  29  -6.225   5.932   2.948
  200    H    ASN  30           H        ASN  30  -3.253   4.257   0.668
  201    HA   ASN  30           HA       ASN  30  -4.260   2.174  -0.945
  202    HB2  ASN  30           2HB      ASN  30  -2.634   4.032  -1.579
  203    HB3  ASN  30           3HB      ASN  30  -1.382   3.090  -0.764
  204   HD21  ASN  30          1HD2      ASN  30  -2.802   0.552  -1.820
  205   HD22  ASN  30          2HD2      ASN  30  -2.237   0.470  -3.449
  206    H    PHE  31           H        PHE  31  -1.645   2.304   1.457
  207    HA   PHE  31           HA       PHE  31  -0.879  -0.409   1.208
  208    HB2  PHE  31           1HB      PHE  31   0.645   1.240   2.124
  209    HB3  PHE  31           2HB      PHE  31  -0.466   1.581   3.453
  210    HD1  PHE  31           2HD      PHE  31  -0.726   0.025   5.309
  211    HD2  PHE  31           1HD      PHE  31   2.082  -0.743   2.196
  212    HE1  PHE  31           2HE      PHE  31   0.396  -1.642   6.727
  213    HE2  PHE  31           1HE      PHE  31   3.210  -2.390   3.619
  214    HZ   PHE  31           HZ       PHE  31   2.364  -2.850   5.883
  215    H    SER  32           H        SER  32  -2.985   1.276   3.514
  216    HA   SER  32           HA       SER  32  -3.437  -0.934   5.184
  217    HB2  SER  32           2HB      SER  32  -5.175   1.501   4.703
  218    HB3  SER  32           3HB      SER  32  -5.323   0.383   6.070
  219    HG   SER  32           HG       SER  32  -3.083   0.923   6.557
  220    H    ALA  33           H        ALA  33  -5.431   0.367   2.524
  221    HA   ALA  33           HA       ALA  33  -7.497  -1.552   2.839
  222    HB1  ALA  33           1HB      ALA  33  -6.817   0.079   0.399
  223    HB2  ALA  33           2HB      ALA  33  -8.356  -0.715   0.738
  224    HB3  ALA  33           3HB      ALA  33  -7.815   0.630   1.743
  225    H    GLN  34           H        GLN  34  -4.697  -1.338   0.707
  226    HA   GLN  34           HA       GLN  34  -5.287  -3.585  -0.888
  227    HB2  GLN  34           2HB      GLN  34  -3.691  -1.743  -1.421
  228    HB3  GLN  34           3HB      GLN  34  -2.587  -2.398  -0.209
  229    HG2  GLN  34           2HG      GLN  34  -1.859  -3.036  -2.407
  230    HG3  GLN  34           3HG      GLN  34  -2.409  -4.469  -1.526
  231   HE21  GLN  34          1HE2      GLN  34  -2.539  -5.367  -3.709
  232   HE22  GLN  34          2HE2      GLN  34  -3.966  -5.108  -4.634
  233    H    GLN  35           H        GLN  35  -3.624  -3.181   2.171
  234    HA   GLN  35           HA       GLN  35  -2.632  -5.864   2.220
  235    HB2  GLN  35           2HB      GLN  35  -2.530  -3.488   3.966
  236    HB3  GLN  35           3HB      GLN  35  -2.405  -5.050   4.782
  237    HG2  GLN  35           2HG      GLN  35  -0.224  -4.001   4.220
  238    HG3  GLN  35           3HG      GLN  35  -0.445  -5.627   3.571
  239   HE21  GLN  35          1HE2      GLN  35   1.247  -3.343   2.840
  240   HE22  GLN  35          2HE2      GLN  35   1.022  -3.160   1.144
  241    H    GLU  36           H        GLU  36  -5.341  -4.168   3.784
  242    HA   GLU  36           HA       GLU  36  -6.055  -6.355   5.429
  243    HB2  GLU  36           2HB      GLU  36  -8.152  -5.197   5.838
  244    HB3  GLU  36           3HB      GLU  36  -6.790  -4.071   5.923
  245    HG2  GLU  36           2HG      GLU  36  -7.304  -3.208   3.719
  246    HG3  GLU  36           3HG      GLU  36  -8.608  -4.392   3.547
  247    HE2  GLU  36           HE       GLU  36 -10.789  -2.484   5.415
  248    H    GLN  37           H        GLN  37  -6.848  -5.525   2.117
  249    HA   GLN  37           HA       GLN  37  -8.890  -7.609   2.026
  250    HB2  GLN  37           2HB      GLN  37  -7.891  -5.758  -0.143
  251    HB3  GLN  37           3HB      GLN  37  -9.292  -6.836  -0.259
  252    HG2  GLN  37           2HG      GLN  37 -10.511  -5.566   1.350
  253    HG3  GLN  37           3HG      GLN  37  -9.081  -4.602   1.744
  254   HE21  GLN  37          1HE2      GLN  37  -8.242  -4.456  -1.051
  255   HE22  GLN  37          2HE2      GLN  37  -9.297  -3.319  -1.812
  256    H    CYS  38           H        CYS  38  -5.605  -7.037   0.898
  257    HA   CYS  38           HA       CYS  38  -5.811  -9.450  -0.765
  258    HB2  CYS  38           2HB      CYS  38  -3.648  -7.394  -1.038
  259    HB3  CYS  38           3HB      CYS  38  -4.274  -8.515  -2.259
  260    H    ASP  39           H        ASP  39  -3.019  -7.739   0.689
  261    HA   ASP  39           HA       ASP  39  -2.142 -10.350   1.744
  262    HB2  ASP  39           2HB      ASP  39  -0.896  -9.514  -0.337
  263    HB3  ASP  39           3HB      ASP  39  -0.236  -8.255   0.716
  264    HD2  ASP  39           HD       ASP  39   1.424 -10.885   2.612
  265    HA   PRO  40           HA       PRO  40  -2.294  -7.474   5.294
  266    HB2  PRO  40           2HB      PRO  40  -2.743  -9.938   6.839
  267    HB3  PRO  40           3HB      PRO  40  -3.763  -8.512   6.676
  268    HG2  PRO  40           2HG      PRO  40  -4.367 -10.918   5.585
  269    HG3  PRO  40           3HG      PRO  40  -4.874  -9.355   4.845
  270    HD2  PRO  40           2HD      PRO  40  -2.625 -11.204   4.094
  271    HD3  PRO  40           3HD      PRO  40  -3.743 -10.302   3.054
  272    H    ASN  41           H        ASN  41  -0.243 -10.027   4.413
  273    HA   ASN  41           HA       ASN  41   0.946 -10.371   7.019
  274    HB2  ASN  41           2HB      ASN  41   0.537 -12.217   5.295
  275    HB3  ASN  41           3HB      ASN  41   1.964 -11.586   4.464
  276   HD21  ASN  41          1HD2      ASN  41   1.478 -11.679   7.935
  277   HD22  ASN  41          2HD2      ASN  41   2.760 -12.807   8.272
  278    H    ILE  42           H        ILE  42   1.654  -8.439   4.212
  279    HA   ILE  42           HA       ILE  42   4.478  -8.314   4.789
  280    HB   ILE  42           HB       ILE  42   4.751  -6.763   3.040
  281   HG12  ILE  42          2HG1      ILE  42   1.761  -6.332   3.073
  282   HG13  ILE  42          3HG1      ILE  42   2.980  -5.192   3.666
  283   HG21  ILE  42          1HG2      ILE  42   3.561  -7.756   1.145
  284   HG22  ILE  42          2HG2      ILE  42   4.231  -8.976   2.230
  285   HG23  ILE  42          3HG2      ILE  42   2.506  -8.610   2.270
  286   HD11  ILE  42          3HD1      ILE  42   2.186  -4.554   1.470
  287   HD12  ILE  42          1HD1      ILE  42   3.901  -4.975   1.429
  288   HD13  ILE  42          2HD1      ILE  42   2.698  -6.112   0.819
  289    H    THR  43           H        THR  43   5.559  -6.244   5.146
  290    HA   THR  43           HA       THR  43   4.131  -4.650   7.176
  291    HB   THR  43           HB       THR  43   7.104  -4.705   7.075
  292    HG1  THR  43           1HG      THR  43   6.011  -6.781   8.569
  293   HG21  THR  43          3HG2      THR  43   5.104  -4.825   9.336
  294   HG22  THR  43          1HG2      THR  43   5.932  -3.378   8.757
  295   HG23  THR  43          2HG2      THR  43   6.852  -4.676   9.516
  296    H    ILE  44           H        ILE  44   5.000  -2.338   7.302
  297    HA   ILE  44           HA       ILE  44   5.514  -1.206   4.728
  298    HB   ILE  44           HB       ILE  44   6.011   0.029   7.456
  299   HG12  ILE  44          2HG1      ILE  44   3.604   0.237   5.626
  300   HG13  ILE  44          3HG1      ILE  44   3.662  -0.648   7.158
  301   HG21  ILE  44          1HG2      ILE  44   5.781   1.266   4.712
  302   HG22  ILE  44          2HG2      ILE  44   5.830   2.173   6.223
  303   HG23  ILE  44          3HG2      ILE  44   7.217   1.201   5.734
  304   HD11  ILE  44          3HD1      ILE  44   4.041   1.439   8.364
  305   HD12  ILE  44          1HD1      ILE  44   3.966   2.326   6.841
  306   HD13  ILE  44          2HD1      ILE  44   2.540   1.479   7.440
  307    H    ALA  45           H        ALA  45   7.380  -1.361   3.686
  308    HA   ALA  45           HA       ALA  45   9.670  -2.525   4.970
  309    HB1  ALA  45           1HB      ALA  45   9.345  -1.482   2.158
  310    HB2  ALA  45           2HB      ALA  45  10.683  -2.471   2.749
  311    HB3  ALA  45           3HB      ALA  45   9.051  -3.138   2.688
  312    H    HIS  46           H        HIS  46   8.872   0.606   3.552
  313    HA   HIS  46           HA       HIS  46  10.518   1.996   5.382
  314    HB2  HIS  46           2HB      HIS  46  12.155   2.971   3.868
  315    HB3  HIS  46           3HB      HIS  46  12.326   1.214   3.883
  316    HD1  HIS  46           1HD      HIS  46  11.241   4.040   1.655
  317    HD2  HIS  46           2HD      HIS  46  11.823  -0.076   1.468
  318    HE1  HIS  46           1HE      HIS  46  11.136   3.452  -0.787
  319    HE2  HIS  46           2HE      HIS  46  11.612   0.974  -0.892
  320    H    MET  47           H        MET  47  10.334   4.308   5.123
  321    HA   MET  47           HA       MET  47   7.829   5.122   4.012
  322    HB2  MET  47           2HB      MET  47   8.892   6.138   6.047
  323    HB3  MET  47           3HB      MET  47  10.102   6.869   4.981
  324    HG2  MET  47           2HG      MET  47   8.422   8.510   5.521
  325    HG3  MET  47           3HG      MET  47   8.311   8.085   3.812
  326    HE1  MET  47           3HE      MET  47   6.008   9.624   5.335
  327    HE2  MET  47           1HE      MET  47   5.891   9.157   3.638
  328    HE3  MET  47           2HE      MET  47   4.574   8.776   4.749
  329    H    GLY  48           H        GLY  48   7.444   6.276   2.142
  330    HA2  GLY  48           2HA      GLY  48   8.137   7.458   0.183
  331    HA3  GLY  48           3HA      GLY  48   9.748   6.755   0.379
  332    H    GLU  49           H        GLU  49   8.152   6.735  -1.996
  333    HA   GLU  49           HA       GLU  49   6.803   4.260  -2.306
  334    HB2  GLU  49           2HB      GLU  49   6.929   4.794  -4.752
  335    HB3  GLU  49           3HB      GLU  49   6.213   6.063  -3.749
  336    HG2  GLU  49           2HG      GLU  49   8.596   7.071  -3.711
  337    HG3  GLU  49           3HG      GLU  49   8.875   6.016  -5.104
  338    HE2  GLU  49           HE       GLU  49   6.771   7.944  -7.133
  339    H    CYS  50           H        CYS  50   7.413   2.412  -3.486
  340    HA   CYS  50           HA       CYS  50   9.964   1.442  -2.874
  341    HB2  CYS  50           1HB      CYS  50   8.001   0.363  -4.881
  342    HB3  CYS  50           2HB      CYS  50   9.329  -0.530  -4.141
  Start of MODEL   14
    1    H1   ALA   1           1H       ALA   1 -14.289  -5.820  -1.931
    2    H2   ALA   1           2H       ALA   1 -13.741  -4.476  -2.812
    3    H3   ALA   1           3H       ALA   1 -13.027  -4.870  -1.326
    4    HA   ALA   1           HA       ALA   1 -12.969  -6.641  -3.688
    5    HB1  ALA   1           2HB      ALA   1 -10.801  -4.787  -2.705
    6    HB2  ALA   1           3HB      ALA   1 -10.691  -5.905  -4.069
    7    HB3  ALA   1           1HB      ALA   1 -11.789  -4.526  -4.143
    8    H    GLU   2           H        GLU   2 -11.666  -8.468  -3.416
    9    HA   GLU   2           HA       GLU   2 -10.597  -8.875  -0.699
   10    HB2  GLU   2           2HB      GLU   2 -11.849 -10.931  -2.535
   11    HB3  GLU   2           3HB      GLU   2 -11.026 -11.304  -1.014
   12    HG2  GLU   2           2HG      GLU   2 -12.684  -9.882   0.178
   13    HG3  GLU   2           3HG      GLU   2 -13.551  -9.704  -1.355
   14    HE2  GLU   2           HE       GLU   2 -14.813 -12.933  -1.178
   15    H    ASP   3           H        ASP   3 -10.250  -9.476  -4.143
   16    HA   ASP   3           HA       ASP   3  -7.388  -9.951  -3.654
   17    HB2  ASP   3           2HB      ASP   3  -9.202 -10.957  -5.839
   18    HB3  ASP   3           3HB      ASP   3  -7.450 -10.864  -6.074
   19    HD2  ASP   3           HD       ASP   3  -6.923 -13.406  -3.665
   20    H    CYS   4           H        CYS   4  -6.010  -8.520  -4.387
   21    HA   CYS   4           HA       CYS   4  -6.630  -6.799  -6.609
   22    HB2  CYS   4           2HB      CYS   4  -6.174  -4.725  -5.401
   23    HB3  CYS   4           3HB      CYS   4  -7.591  -5.544  -4.727
   24    H    VAL   5           H        VAL   5  -4.853  -6.856  -7.820
   25    HA   VAL   5           HA       VAL   5  -2.394  -7.667  -6.486
   26    HB   VAL   5           HB       VAL   5  -1.692  -8.442  -8.682
   27   HG11  VAL   5          1HG1      VAL   5  -3.220 -10.356  -8.847
   28   HG12  VAL   5          2HG1      VAL   5  -2.762 -10.002  -7.182
   29   HG13  VAL   5          3HG1      VAL   5  -4.349  -9.513  -7.785
   30   HG21  VAL   5          3HG2      VAL   5  -2.949  -6.905 -10.081
   31   HG22  VAL   5          1HG2      VAL   5  -3.265  -8.578 -10.538
   32   HG23  VAL   5          2HG2      VAL   5  -4.451  -7.686  -9.586
   33    H    GLY   6           H        GLY   6  -0.777  -6.342  -6.349
   34    HA2  GLY   6           2HA      GLY   6   0.913  -5.019  -7.382
   35    HA3  GLY   6           3HA      GLY   6  -0.311  -4.413  -8.509
   36    H    ARG   7           H        ARG   7  -1.527  -2.677  -7.970
   37    HA   ARG   7           HA       ARG   7  -1.331  -1.708  -5.215
   38    HB2  ARG   7           2HB      ARG   7   0.190  -0.398  -6.665
   39    HB3  ARG   7           3HB      ARG   7  -1.193   0.035  -7.684
   40    HG2  ARG   7           2HG      ARG   7  -2.217   1.270  -5.917
   41    HG3  ARG   7           3HG      ARG   7  -1.015   0.686  -4.755
   42    HD2  ARG   7           2HD      ARG   7  -0.449   2.939  -5.356
   43    HD3  ARG   7           3HD      ARG   7   0.747   1.844  -6.062
   44    HE   ARG   7           HE       ARG   7  -1.420   2.500  -7.849
   45   HH11  ARG   7          2HH1      ARG   7   1.738   3.408  -6.662
   46   HH12  ARG   7          1HH1      ARG   7   2.128   4.411  -8.029
   47   HH21  ARG   7          2HH2      ARG   7  -0.955   3.868  -9.635
   48   HH22  ARG   7          1HH2      ARG   7   0.565   4.708  -9.701
   49    H    LYS   8           H        LYS   8  -3.244  -1.181  -4.327
   50    HA   LYS   8           HA       LYS   8  -5.577  -1.006  -6.087
   51    HB2  LYS   8           2HB      LYS   8  -5.839  -2.507  -4.205
   52    HB3  LYS   8           3HB      LYS   8  -5.312  -1.254  -3.069
   53    HG2  LYS   8           2HG      LYS   8  -7.725  -1.582  -2.983
   54    HG3  LYS   8           3HG      LYS   8  -7.308   0.045  -3.545
   55    HD2  LYS   8           2HD      LYS   8  -7.636  -0.730  -5.896
   56    HD3  LYS   8           3HD      LYS   8  -8.192  -2.284  -5.247
   57    HE2  LYS   8           2HE      LYS   8 -10.089  -0.844  -5.819
   58    HE3  LYS   8           3HE      LYS   8 -10.018  -1.161  -4.078
   59    HZ1  LYS   8           3HZ      LYS   8 -10.504   1.171  -4.583
   60    HZ2  LYS   8           1HZ      LYS   8  -9.025   1.318  -5.394
   61    HZ3  LYS   8           2HZ      LYS   8  -9.059   1.010  -3.726
   62    H    ALA   9           H        ALA   9  -6.358   0.929  -6.622
   63    HA   ALA   9           HA       ALA   9  -4.768   3.174  -5.846
   64    HB1  ALA   9           1HB      ALA   9  -5.475   2.834  -8.154
   65    HB2  ALA   9           2HB      ALA   9  -7.158   3.069  -7.676
   66    HB3  ALA   9           3HB      ALA   9  -6.005   4.399  -7.536
   67    H    CYS  10           H        CYS  10  -5.088   4.327  -4.125
   68    HA   CYS  10           HA       CYS  10  -7.751   5.471  -3.758
   69    HB2  CYS  10           2HB      CYS  10  -7.623   5.426  -1.382
   70    HB3  CYS  10           3HB      CYS  10  -7.237   3.781  -1.926
   71    H    THR  11           H        THR  11  -7.633   7.719  -3.047
   72    HA   THR  11           HA       THR  11  -4.988   8.929  -3.213
   73    HB   THR  11           HB       THR  11  -7.118   9.735  -5.198
   74    HG1  THR  11           1HG      THR  11  -4.865   8.006  -5.523
   75   HG21  THR  11          3HG2      THR  11  -5.308  10.933  -6.273
   76   HG22  THR  11          1HG2      THR  11  -4.165  10.329  -5.072
   77   HG23  THR  11          2HG2      THR  11  -5.448  11.438  -4.590
   78    H    ARG  12           H        ARG  12  -5.567   9.530  -1.069
   79    HA   ARG  12           HA       ARG  12  -7.408  11.819  -0.983
   80    HB2  ARG  12           2HB      ARG  12  -7.566  11.413   1.450
   81    HB3  ARG  12           3HB      ARG  12  -8.124  10.029   0.498
   82    HG2  ARG  12           2HG      ARG  12  -5.951   8.925   0.828
   83    HG3  ARG  12           3HG      ARG  12  -5.436  10.293   1.828
   84    HD2  ARG  12           2HD      ARG  12  -7.369   9.832   3.347
   85    HD3  ARG  12           3HD      ARG  12  -7.694   8.379   2.389
   86    HE   ARG  12           HE       ARG  12  -5.113   8.046   3.045
   87   HH11  ARG  12          2HH1      ARG  12  -7.980   8.767   4.920
   88   HH12  ARG  12          1HH1      ARG  12  -7.330   8.138   6.411
   89   HH21  ARG  12          2HH2      ARG  12  -4.270   7.178   5.000
   90   HH22  ARG  12          1HH2      ARG  12  -5.229   7.215   6.447
   91    H    GLU  13           H        GLU  13  -4.241  10.916  -1.039
   92    HA   GLU  13           HA       GLU  13  -3.056  13.371  -0.553
   93    HB2  GLU  13           2HB      GLU  13  -3.819  13.038   1.786
   94    HB3  GLU  13           3HB      GLU  13  -2.941  11.503   1.839
   95    HG2  GLU  13           2HG      GLU  13  -1.698  13.222   2.991
   96    HG3  GLU  13           3HG      GLU  13  -0.834  12.687   1.543
   97    HE2  GLU  13           HE       GLU  13  -1.001  15.812   0.100
   98    H    TRP  14           H        TRP  14  -0.662  13.134  -0.641
   99    HA   TRP  14           HA       TRP  14   0.081  10.414  -1.486
  100    HB2  TRP  14           2HB      TRP  14   0.209  12.089  -3.302
  101    HB3  TRP  14           3HB      TRP  14   1.353  13.022  -2.338
  102    HD1  TRP  14           1HD      TRP  14   3.883  12.245  -2.317
  103    HE1  TRP  14           1HE      TRP  14   5.201  10.455  -3.608
  104    HE3  TRP  14           3HE      TRP  14  -0.035   9.675  -4.372
  105    HZ2  TRP  14           2HZ      TRP  14   4.657   8.253  -5.279
  106    HZ3  TRP  14           3HZ      TRP  14   0.458   7.740  -5.814
  107    HH2  TRP  14           2HH      TRP  14   2.758   7.047  -6.256
  108    H    TYR  15           H        TYR  15   0.674   9.674   0.507
  109    HA   TYR  15           HA       TYR  15   3.318  10.628   1.347
  110    HB2  TYR  15           2HB      TYR  15   1.130   9.337   3.007
  111    HB3  TYR  15           3HB      TYR  15   2.821   9.332   3.512
  112    HD1  TYR  15           2HD      TYR  15   3.975  11.708   3.556
  113    HD2  TYR  15           1HD      TYR  15  -0.217  11.049   3.782
  114    HE1  TYR  15           2HE      TYR  15   3.701  13.895   4.646
  115    HE2  TYR  15           1HE      TYR  15  -0.509  13.231   4.876
  116    HH   TYR  15           HH       TYR  15   1.969  15.581   5.004
  117    HA   PRO  16           HA       PRO  16   3.504   6.705  -0.725
  118    HB2  PRO  16           2HB      PRO  16   5.964   6.919  -1.794
  119    HB3  PRO  16           3HB      PRO  16   4.597   7.865  -2.384
  120    HG2  PRO  16           2HG      PRO  16   6.813   8.665  -0.539
  121    HG3  PRO  16           3HG      PRO  16   6.065   9.583  -1.899
  122    HD2  PRO  16           2HD      PRO  16   5.468   9.930   0.798
  123    HD3  PRO  16           3HD      PRO  16   4.413  10.387  -0.550
  124    H    VAL  17           H        VAL  17   4.095   4.750  -0.042
  125    HA   VAL  17           HA       VAL  17   6.469   4.446   1.631
  126    HB   VAL  17           HB       VAL  17   5.321   2.980   3.227
  127   HG11  VAL  17          1HG1      VAL  17   4.065   5.713   3.053
  128   HG12  VAL  17          2HG1      VAL  17   4.095   4.684   4.484
  129   HG13  VAL  17          3HG1      VAL  17   5.603   5.316   3.816
  130   HG21  VAL  17          3HG2      VAL  17   3.499   2.168   1.893
  131   HG22  VAL  17          1HG2      VAL  17   2.845   2.960   3.330
  132   HG23  VAL  17          2HG2      VAL  17   2.809   3.788   1.772
  133    H    CYS  18           H        CYS  18   6.909   2.043   1.935
  134    HA   CYS  18           HA       CYS  18   6.171   0.648  -0.550
  135    HB2  CYS  18           2HB      CYS  18   8.493   1.420  -0.513
  136    HB3  CYS  18           3HB      CYS  18   8.771   0.514   0.983
  137    H    GLY  19           H        GLY  19   5.160  -1.212  -0.306
  138    HA2  GLY  19           2HA      GLY  19   4.827  -2.412   2.305
  139    HA3  GLY  19           3HA      GLY  19   4.197  -3.027   0.769
  140    H    SER  20           H        SER  20   5.599  -4.409   2.961
  141    HA   SER  20           HA       SER  20   8.299  -4.793   2.501
  142    HB2  SER  20           2HB      SER  20   7.133  -5.429   4.576
  143    HB3  SER  20           3HB      SER  20   6.367  -6.772   3.713
  144    HG   SER  20           HG       SER  20   8.719  -7.313   3.189
  145    H    ASP  21           H        ASP  21   5.749  -5.947   0.568
  146    HA   ASP  21           HA       ASP  21   7.179  -8.201  -0.515
  147    HB2  ASP  21           2HB      ASP  21   4.743  -8.166  -0.573
  148    HB3  ASP  21           3HB      ASP  21   4.766  -6.678  -1.529
  149    HD2  ASP  21           HD       ASP  21   5.822 -10.007  -3.432
  150    H    GLY  22           H        GLY  22   7.553  -4.915  -0.732
  151    HA2  GLY  22           2HA      GLY  22   9.209  -3.795  -1.976
  152    HA3  GLY  22           3HA      GLY  22   9.187  -5.118  -3.146
  153    H    VAL  23           H        VAL  23   6.277  -3.586  -1.952
  154    HA   VAL  23           HA       VAL  23   5.735  -2.758  -4.721
  155    HB   VAL  23           HB       VAL  23   4.197  -4.404  -4.075
  156   HG11  VAL  23          1HG1      VAL  23   2.877  -4.320  -2.008
  157   HG12  VAL  23          2HG1      VAL  23   4.611  -4.428  -1.701
  158   HG13  VAL  23          3HG1      VAL  23   3.777  -2.887  -1.514
  159   HG21  VAL  23          3HG2      VAL  23   2.028  -3.257  -4.038
  160   HG22  VAL  23          1HG2      VAL  23   2.844  -1.742  -3.657
  161   HG23  VAL  23          2HG2      VAL  23   3.132  -2.532  -5.205
  162    H    THR  24           H        THR  24   4.992  -0.743  -5.215
  163    HA   THR  24           HA       THR  24   5.600   1.376  -3.356
  164    HB   THR  24           HB       THR  24   4.535   1.426  -6.188
  165    HG1  THR  24           1HG      THR  24   6.649   0.643  -6.080
  166   HG21  THR  24          3HG2      THR  24   3.915   3.471  -5.015
  167   HG22  THR  24          1HG2      THR  24   5.171   3.795  -6.214
  168   HG23  THR  24          2HG2      THR  24   5.588   3.699  -4.501
  169    H    TYR  25           H        TYR  25   4.168   2.234  -1.989
  170    HA   TYR  25           HA       TYR  25   1.333   2.112  -2.711
  171    HB2  TYR  25           2HB      TYR  25   2.754   2.163  -0.061
  172    HB3  TYR  25           3HB      TYR  25   1.040   2.494  -0.214
  173    HD1  TYR  25           2HD      TYR  25  -0.283   0.748  -1.715
  174    HD2  TYR  25           1HD      TYR  25   3.340  -0.049   0.348
  175    HE1  TYR  25           2HE      TYR  25  -0.767  -1.652  -1.820
  176    HE2  TYR  25           1HE      TYR  25   2.870  -2.458   0.242
  177    HH   TYR  25           HH       TYR  25   0.379  -3.753  -1.728
  178    H    SER  26           H        SER  26   0.091   3.830  -2.742
  179    HA   SER  26           HA       SER  26   1.316   6.326  -3.321
  180    HB2  SER  26           2HB      SER  26  -1.598   5.541  -3.040
  181    HB3  SER  26           3HB      SER  26  -1.024   7.074  -3.712
  182    HG   SER  26           HG       SER  26  -0.124   5.998  -5.419
  183    H    ASN  27           H        ASN  27  -0.558   5.129  -0.574
  184    HA   ASN  27           HA       ASN  27   0.530   6.962   1.232
  185    HB2  ASN  27           2HB      ASN  27  -1.159   8.546   1.636
  186    HB3  ASN  27           3HB      ASN  27  -1.090   8.466  -0.130
  187   HD21  ASN  27          1HD2      ASN  27  -2.840   7.773  -1.261
  188   HD22  ASN  27          2HD2      ASN  27  -4.344   7.328  -0.535
  189    HA   PRO  28           HA       PRO  28  -0.904   4.323   4.419
  190    HB2  PRO  28           2HB      PRO  28  -3.094   6.234   5.223
  191    HB3  PRO  28           3HB      PRO  28  -1.937   5.353   6.220
  192    HG2  PRO  28           2HG      PRO  28  -1.584   7.921   5.622
  193    HG3  PRO  28           3HG      PRO  28  -0.187   6.785   5.697
  194    HD2  PRO  28           2HD      PRO  28  -1.515   8.047   3.350
  195    HD3  PRO  28           3HD      PRO  28   0.159   7.512   3.554
  196    H    CYS  29           H        CYS  29  -3.815   5.720   2.770
  197    HA   CYS  29           HA       CYS  29  -5.485   3.567   3.540
  198    HB2  CYS  29           2HB      CYS  29  -7.004   4.279   1.707
  199    HB3  CYS  29           3HB      CYS  29  -6.566   5.564   2.843
  200    H    ASN  30           H        ASN  30  -3.309   4.016   0.899
  201    HA   ASN  30           HA       ASN  30  -4.286   1.951  -0.750
  202    HB2  ASN  30           2HB      ASN  30  -2.929   3.782  -1.602
  203    HB3  ASN  30           3HB      ASN  30  -1.571   3.273  -0.590
  204   HD21  ASN  30          1HD2      ASN  30  -3.443   0.808  -2.096
  205   HD22  ASN  30          2HD2      ASN  30  -2.309   0.430  -3.331
  206    H    PHE  31           H        PHE  31  -1.594   2.094   1.565
  207    HA   PHE  31           HA       PHE  31  -0.904  -0.628   1.371
  208    HB2  PHE  31           1HB      PHE  31   0.635   1.028   2.312
  209    HB3  PHE  31           2HB      PHE  31  -0.487   1.347   3.635
  210    HD1  PHE  31           1HD      PHE  31  -0.771  -0.231   5.461
  211    HD2  PHE  31           2HD      PHE  31   2.002  -0.995   2.321
  212    HE1  PHE  31           1HE      PHE  31   0.297  -1.972   6.828
  213    HE2  PHE  31           2HE      PHE  31   3.069  -2.733   3.684
  214    HZ   PHE  31           HZ       PHE  31   2.217  -3.230   5.934
  215    H    SER  32           H        SER  32  -3.006   1.200   3.558
  216    HA   SER  32           HA       SER  32  -3.581  -0.886   5.330
  217    HB2  SER  32           2HB      SER  32  -3.999   1.439   5.905
  218    HB3  SER  32           3HB      SER  32  -5.207   1.566   4.615
  219    HG   SER  32           HG       SER  32  -6.638   0.552   5.803
  220    H    ALA  33           H        ALA  33  -5.444   0.279   2.501
  221    HA   ALA  33           HA       ALA  33  -7.541  -1.595   2.885
  222    HB1  ALA  33           1HB      ALA  33  -8.366  -0.891   0.733
  223    HB2  ALA  33           2HB      ALA  33  -7.830   0.516   1.647
  224    HB3  ALA  33           3HB      ALA  33  -6.822  -0.131   0.353
  225    H    GLN  34           H        GLN  34  -4.734  -1.556   0.686
  226    HA   GLN  34           HA       GLN  34  -5.518  -3.926  -0.653
  227    HB2  GLN  34           2HB      GLN  34  -3.996  -2.359  -1.694
  228    HB3  GLN  34           3HB      GLN  34  -2.803  -2.620  -0.414
  229    HG2  GLN  34           2HG      GLN  34  -2.179  -4.685  -1.200
  230    HG3  GLN  34           3HG      GLN  34  -3.716  -4.942  -2.035
  231   HE21  GLN  34          1HE2      GLN  34  -2.632  -5.512  -3.936
  232   HE22  GLN  34          2HE2      GLN  34  -1.865  -4.321  -4.928
  233    H    GLN  35           H        GLN  35  -3.732  -3.297   2.253
  234    HA   GLN  35           HA       GLN  35  -2.696  -5.957   2.483
  235    HB2  GLN  35           2HB      GLN  35  -2.644  -3.471   4.093
  236    HB3  GLN  35           3HB      GLN  35  -2.388  -4.994   4.950
  237    HG2  GLN  35           2HG      GLN  35  -0.358  -3.655   4.112
  238    HG3  GLN  35           3HG      GLN  35  -0.376  -5.404   3.905
  239   HE21  GLN  35          1HE2      GLN  35   1.019  -3.228   2.579
  240   HE22  GLN  35          2HE2      GLN  35   0.770  -3.498   0.890
  241    H    GLU  36           H        GLU  36  -5.388  -4.167   3.975
  242    HA   GLU  36           HA       GLU  36  -6.022  -6.207   5.822
  243    HB2  GLU  36           2HB      GLU  36  -8.128  -5.052   6.199
  244    HB3  GLU  36           3HB      GLU  36  -6.785  -3.901   6.138
  245    HG2  GLU  36           2HG      GLU  36  -7.399  -3.198   3.921
  246    HG3  GLU  36           3HG      GLU  36  -8.652  -4.442   3.840
  247    HE2  GLU  36           HE       GLU  36 -10.880  -2.526   5.658
  248    H    GLN  37           H        GLN  37  -7.070  -5.614   2.501
  249    HA   GLN  37           HA       GLN  37  -8.959  -7.838   2.757
  250    HB2  GLN  37           2HB      GLN  37  -9.903  -7.102   0.657
  251    HB3  GLN  37           3HB      GLN  37  -9.747  -5.725   1.756
  252    HG2  GLN  37           2HG      GLN  37  -7.460  -5.383   0.527
  253    HG3  GLN  37           3HG      GLN  37  -8.248  -6.341  -0.736
  254   HE21  GLN  37          1HE2      GLN  37  -7.386  -3.551  -0.691
  255   HE22  GLN  37          2HE2      GLN  37  -8.782  -2.615  -1.065
  256    H    CYS  38           H        CYS  38  -5.928  -7.035   1.143
  257    HA   CYS  38           HA       CYS  38  -6.195  -9.488  -0.452
  258    HB2  CYS  38           2HB      CYS  38  -4.473  -7.070  -0.995
  259    HB3  CYS  38           3HB      CYS  38  -4.628  -8.491  -2.043
  260    H    ASP  39           H        ASP  39  -3.399  -7.591   0.851
  261    HA   ASP  39           HA       ASP  39  -2.235 -10.214   1.552
  262    HB2  ASP  39           2HB      ASP  39  -1.220  -8.922  -0.484
  263    HB3  ASP  39           3HB      ASP  39  -0.480  -7.909   0.765
  264    HD2  ASP  39           HD       ASP  39   1.401 -10.725   1.936
  265    HA   PRO  40           HA       PRO  40  -2.408  -7.715   5.380
  266    HB2  PRO  40           2HB      PRO  40  -2.986  -9.792   7.042
  267    HB3  PRO  40           3HB      PRO  40  -4.205  -8.980   6.062
  268    HG2  PRO  40           2HG      PRO  40  -2.723 -11.529   5.525
  269    HG3  PRO  40           3HG      PRO  40  -4.481 -11.172   5.342
  270    HD2  PRO  40           2HD      PRO  40  -2.731 -11.214   3.247
  271    HD3  PRO  40           3HD      PRO  40  -4.162 -10.173   3.298
  272    H    ASN  41           H        ASN  41  -0.325 -10.107   4.222
  273    HA   ASN  41           HA       ASN  41   0.969 -10.641   6.760
  274    HB2  ASN  41           2HB      ASN  41   1.465 -11.720   3.982
  275    HB3  ASN  41           3HB      ASN  41   2.363 -12.224   5.417
  276   HD21  ASN  41          1HD2      ASN  41   0.020 -12.048   7.162
  277   HD22  ASN  41          2HD2      ASN  41  -0.950 -13.426   6.786
  278    H    ILE  42           H        ILE  42   1.433  -8.368   4.260
  279    HA   ILE  42           HA       ILE  42   4.300  -8.225   4.819
  280    HB   ILE  42           HB       ILE  42   4.578  -6.712   3.043
  281   HG12  ILE  42          2HG1      ILE  42   1.572  -6.459   2.888
  282   HG13  ILE  42          3HG1      ILE  42   2.669  -5.244   3.565
  283   HG21  ILE  42          1HG2      ILE  42   4.187  -9.005   2.317
  284   HG22  ILE  42          2HG2      ILE  42   2.457  -8.677   2.183
  285   HG23  ILE  42          3HG2      ILE  42   3.599  -7.846   1.124
  286   HD11  ILE  42          3HD1      ILE  42   2.630  -6.168   0.702
  287   HD12  ILE  42          1HD1      ILE  42   1.997  -4.640   1.326
  288   HD13  ILE  42          2HD1      ILE  42   3.732  -4.969   1.387
  289    H    THR  43           H        THR  43   5.286  -6.202   5.341
  290    HA   THR  43           HA       THR  43   3.580  -4.460   6.991
  291    HB   THR  43           HB       THR  43   5.615  -4.109   8.416
  292    HG1  THR  43           1HG      THR  43   6.826  -6.446   7.635
  293   HG21  THR  43          3HG2      THR  43   4.630  -6.955   8.205
  294   HG22  THR  43          1HG2      THR  43   3.876  -5.661   9.131
  295   HG23  THR  43          2HG2      THR  43   5.466  -6.265   9.597
  296    H    ILE  44           H        ILE  44   4.609  -2.222   7.284
  297    HA   ILE  44           HA       ILE  44   5.403  -1.170   4.755
  298    HB   ILE  44           HB       ILE  44   5.605   0.106   7.497
  299   HG12  ILE  44          2HG1      ILE  44   3.495   0.346   5.338
  300   HG13  ILE  44          3HG1      ILE  44   3.304  -0.499   6.883
  301   HG21  ILE  44          1HG2      ILE  44   7.088   1.183   5.889
  302   HG22  ILE  44          2HG2      ILE  44   5.751   1.354   4.753
  303   HG23  ILE  44          3HG2      ILE  44   5.726   2.234   6.279
  304   HD11  ILE  44          3HD1      ILE  44   2.223   1.679   6.936
  305   HD12  ILE  44          1HD1      ILE  44   3.561   1.611   8.083
  306   HD13  ILE  44          2HD1      ILE  44   3.754   2.460   6.550
  307    H    ALA  45           H        ALA  45   7.335  -1.265   3.866
  308    HA   ALA  45           HA       ALA  45   9.578  -2.287   5.386
  309    HB1  ALA  45           1HB      ALA  45  10.731  -2.320   3.203
  310    HB2  ALA  45           2HB      ALA  45   9.190  -3.177   3.173
  311    HB3  ALA  45           3HB      ALA  45   9.317  -1.564   2.471
  312    H    HIS  46           H        HIS  46   8.926   0.605   3.420
  313    HA   HIS  46           HA       HIS  46  10.333   2.269   5.259
  314    HB2  HIS  46           2HB      HIS  46  12.079   3.093   3.808
  315    HB3  HIS  46           3HB      HIS  46  12.255   1.349   3.988
  316    HD1  HIS  46           1HD      HIS  46  11.493   3.984   1.450
  317    HD2  HIS  46           2HD      HIS  46  11.874  -0.156   1.644
  318    HE1  HIS  46           1HE      HIS  46  11.590   3.197  -0.937
  319    HE2  HIS  46           2HE      HIS  46  12.092   0.729  -0.779
  320    H    MET  47           H        MET  47  10.164   4.538   4.719
  321    HA   MET  47           HA       MET  47   7.767   5.135   3.246
  322    HB2  MET  47           2HB      MET  47   9.822   6.940   4.548
  323    HB3  MET  47           3HB      MET  47   8.335   7.515   3.780
  324    HG2  MET  47           2HG      MET  47   7.038   6.106   5.393
  325    HG3  MET  47           3HG      MET  47   8.564   5.767   6.214
  326    HE1  MET  47           3HE      MET  47   6.739   9.991   5.869
  327    HE2  MET  47           1HE      MET  47   7.476   9.151   4.504
  328    HE3  MET  47           2HE      MET  47   5.981   8.539   5.215
  329    H    GLY  48           H        GLY  48   7.624   6.437   1.392
  330    HA2  GLY  48           2HA      GLY  48   8.606   7.487  -0.532
  331    HA3  GLY  48           3HA      GLY  48  10.089   6.577  -0.212
  332    H    GLU  49           H        GLU  49   8.536   6.727  -2.675
  333    HA   GLU  49           HA       GLU  49   7.041   4.314  -2.948
  334    HB2  GLU  49           2HB      GLU  49   7.151   4.805  -5.406
  335    HB3  GLU  49           3HB      GLU  49   6.477   6.103  -4.410
  336    HG2  GLU  49           2HG      GLU  49   9.370   6.121  -5.197
  337    HG3  GLU  49           3HG      GLU  49   8.114   6.697  -6.303
  338    HE2  GLU  49           HE       GLU  49   7.617   9.590  -4.465
  339    H    CYS  50           H        CYS  50   7.563   2.455  -4.136
  340    HA   CYS  50           HA       CYS  50  10.414   1.791  -4.034
  341    HB2  CYS  50           1HB      CYS  50   7.958   0.401  -3.342
  342    HB3  CYS  50           2HB      CYS  50   8.995  -0.574  -4.390
  Start of MODEL   15
    1    H1   ALA   1           1H       ALA   1 -11.774  -6.815  -0.484
    2    H2   ALA   1           2H       ALA   1 -13.210  -7.140  -1.316
    3    H3   ALA   1           3H       ALA   1 -12.681  -5.537  -1.143
    4    HA   ALA   1           HA       ALA   1 -12.249  -6.267  -3.352
    5    HB1  ALA   1           2HB      ALA   1  -9.703  -6.161  -1.740
    6    HB2  ALA   1           3HB      ALA   1  -9.848  -5.876  -3.478
    7    HB3  ALA   1           1HB      ALA   1 -10.611  -4.770  -2.335
    8    H    GLU   2           H        GLU   2 -10.993  -8.459  -0.910
    9    HA   GLU   2           HA       GLU   2 -10.707 -10.700  -0.910
   10    HB2  GLU   2           2HB      GLU   2 -12.816 -10.803  -2.155
   11    HB3  GLU   2           3HB      GLU   2 -11.928 -10.606  -3.673
   12    HG2  GLU   2           2HG      GLU   2 -10.700 -12.734  -3.118
   13    HG3  GLU   2           3HG      GLU   2 -11.857 -12.946  -1.794
   14    HE2  GLU   2           HE       GLU   2 -13.007 -13.783  -5.445
   15    H    ASP   3           H        ASP   3 -10.192 -10.186  -4.390
   16    HA   ASP   3           HA       ASP   3  -7.366 -10.879  -3.949
   17    HB2  ASP   3           2HB      ASP   3  -8.433 -12.761  -5.031
   18    HB3  ASP   3           3HB      ASP   3  -9.151 -11.700  -6.248
   19    HD2  ASP   3           HD       ASP   3  -5.364 -12.747  -6.674
   20    H    CYS   4           H        CYS   4  -6.240  -9.141  -4.231
   21    HA   CYS   4           HA       CYS   4  -6.214  -7.938  -6.842
   22    HB2  CYS   4           2HB      CYS   4  -6.287  -5.651  -6.082
   23    HB3  CYS   4           3HB      CYS   4  -7.773  -6.473  -5.584
   24    H    VAL   5           H        VAL   5  -4.087  -7.244  -7.358
   25    HA   VAL   5           HA       VAL   5  -2.172  -8.065  -5.281
   26    HB   VAL   5           HB       VAL   5  -2.235  -9.627  -7.164
   27   HG11  VAL   5          1HG1      VAL   5  -1.345  -8.928  -9.363
   28   HG12  VAL   5          2HG1      VAL   5  -2.884  -8.164  -8.960
   29   HG13  VAL   5          3HG1      VAL   5  -1.383  -7.254  -8.802
   30   HG21  VAL   5          3HG2      VAL   5   0.322  -8.039  -6.985
   31   HG22  VAL   5          1HG2      VAL   5  -0.169  -9.356  -5.919
   32   HG23  VAL   5          2HG2      VAL   5   0.172  -9.680  -7.620
   33    H    GLY   6           H        GLY   6  -0.988  -6.524  -4.486
   34    HA2  GLY   6           2HA      GLY   6   1.002  -5.234  -4.874
   35    HA3  GLY   6           3HA      GLY   6   0.270  -4.667  -6.382
   36    H    ARG   7           H        ARG   7  -1.306  -3.073  -6.324
   37    HA   ARG   7           HA       ARG   7  -1.710  -1.775  -3.736
   38    HB2  ARG   7           2HB      ARG   7  -1.353   0.435  -4.672
   39    HB3  ARG   7           3HB      ARG   7   0.099  -0.556  -4.872
   40    HG2  ARG   7           2HG      ARG   7  -1.928  -0.170  -7.070
   41    HG3  ARG   7           3HG      ARG   7  -0.542   0.905  -6.823
   42    HD2  ARG   7           2HD      ARG   7   0.988  -1.013  -7.054
   43    HD3  ARG   7           3HD      ARG   7  -0.406  -2.065  -7.333
   44    HE   ARG   7           HE       ARG   7  -0.388   0.101  -9.175
   45   HH11  ARG   7          2HH1      ARG   7   1.179  -2.958  -8.463
   46   HH12  ARG   7          1HH1      ARG   7   1.582  -3.285 -10.120
   47   HH21  ARG   7          2HH2      ARG   7   0.165  -0.315 -11.356
   48   HH22  ARG   7          1HH2      ARG   7   1.019  -1.774 -11.767
   49    H    LYS   8           H        LYS   8  -3.728  -1.086  -3.385
   50    HA   LYS   8           HA       LYS   8  -5.601  -1.048  -5.616
   51    HB2  LYS   8           2HB      LYS   8  -5.847  -1.272  -2.679
   52    HB3  LYS   8           3HB      LYS   8  -7.075  -0.253  -3.444
   53    HG2  LYS   8           2HG      LYS   8  -6.483  -3.139  -4.111
   54    HG3  LYS   8           3HG      LYS   8  -7.882  -2.523  -3.212
   55    HD2  LYS   8           2HD      LYS   8  -8.588  -1.237  -5.189
   56    HD3  LYS   8           3HD      LYS   8  -7.208  -1.894  -6.085
   57    HE2  LYS   8           2HE      LYS   8  -8.102  -4.193  -5.666
   58    HE3  LYS   8           3HE      LYS   8  -9.533  -3.438  -4.947
   59    HZ1  LYS   8           3HZ      LYS   8  -9.908  -4.025  -7.264
   60    HZ2  LYS   8           1HZ      LYS   8  -8.601  -3.056  -7.743
   61    HZ3  LYS   8           2HZ      LYS   8  -9.981  -2.343  -7.055
   62    H    ALA   9           H        ALA   9  -6.406   0.880  -6.437
   63    HA   ALA   9           HA       ALA   9  -4.694   3.113  -5.960
   64    HB1  ALA   9           1HB      ALA   9  -5.897   4.198  -7.753
   65    HB2  ALA   9           2HB      ALA   9  -5.536   2.529  -8.192
   66    HB3  ALA   9           3HB      ALA   9  -7.164   2.973  -7.679
   67    H    CYS  10           H        CYS  10  -4.888   4.535  -4.461
   68    HA   CYS  10           HA       CYS  10  -7.503   5.691  -3.814
   69    HB2  CYS  10           2HB      CYS  10  -6.979   4.124  -2.017
   70    HB3  CYS  10           3HB      CYS  10  -5.364   4.829  -1.837
   71    H    THR  11           H        THR  11  -7.325   7.986  -3.345
   72    HA   THR  11           HA       THR  11  -4.705   9.206  -3.471
   73    HB   THR  11           HB       THR  11  -6.628   9.884  -5.695
   74    HG1  THR  11           1HG      THR  11  -4.782   7.788  -5.483
   75   HG21  THR  11          3HG2      THR  11  -4.961  11.563  -5.194
   76   HG22  THR  11          1HG2      THR  11  -4.576  10.785  -6.729
   77   HG23  THR  11          2HG2      THR  11  -3.679  10.353  -5.271
   78    H    ARG  12           H        ARG  12  -6.405   9.421  -1.406
   79    HA   ARG  12           HA       ARG  12  -7.620  12.080  -1.650
   80    HB2  ARG  12           2HB      ARG  12  -8.438  11.624   0.686
   81    HB3  ARG  12           3HB      ARG  12  -9.058  10.519  -0.550
   82    HG2  ARG  12           2HG      ARG  12  -7.517   8.790   0.135
   83    HG3  ARG  12           3HG      ARG  12  -6.755   9.901   1.289
   84    HD2  ARG  12           2HD      ARG  12  -8.730  10.009   2.630
   85    HD3  ARG  12           3HD      ARG  12  -9.667   9.149   1.400
   86    HE   ARG  12           HE       ARG  12  -8.506   7.142   1.968
   87   HH11  ARG  12          2HH1      ARG  12  -7.728   9.841   4.062
   88   HH12  ARG  12          1HH1      ARG  12  -7.281   8.832   5.407
   89   HH21  ARG  12          2HH2      ARG  12  -7.992   5.808   3.780
   90   HH22  ARG  12          1HH2      ARG  12  -7.440   6.561   5.250
   91    H    GLU  13           H        GLU  13  -4.707  10.861  -1.159
   92    HA   GLU  13           HA       GLU  13  -3.529  13.098   0.085
   93    HB2  GLU  13           2HB      GLU  13  -4.559  12.103   2.105
   94    HB3  GLU  13           3HB      GLU  13  -3.731  10.577   1.762
   95    HG2  GLU  13           2HG      GLU  13  -1.563  11.678   2.073
   96    HG3  GLU  13           3HG      GLU  13  -2.405  13.191   2.441
   97    HE2  GLU  13           HE       GLU  13  -2.979  12.237   5.681
   98    H    TRP  14           H        TRP  14  -1.157  12.828   0.065
   99    HA   TRP  14           HA       TRP  14  -0.312  10.322  -1.214
  100    HB2  TRP  14           2HB      TRP  14  -0.453  12.115  -2.910
  101    HB3  TRP  14           3HB      TRP  14   0.673  13.082  -1.958
  102    HD1  TRP  14           1HD      TRP  14   3.256  12.489  -2.092
  103    HE1  TRP  14           1HE      TRP  14   4.633  10.961  -3.643
  104    HE3  TRP  14           3HE      TRP  14  -0.571   9.852  -4.224
  105    HZ2  TRP  14           2HZ      TRP  14   4.149   8.910  -5.516
  106    HZ3  TRP  14           3HZ      TRP  14  -0.024   8.129  -5.888
  107    HH2  TRP  14           2HH      TRP  14   2.286   7.668  -6.521
  108    H    TYR  15           H        TYR  15   0.480   9.520   0.701
  109    HA   TYR  15           HA       TYR  15   3.128  10.578   1.330
  110    HB2  TYR  15           2HB      TYR  15   1.166   9.223   3.198
  111    HB3  TYR  15           3HB      TYR  15   2.901   9.267   3.525
  112    HD1  TYR  15           1HD      TYR  15   3.995  11.672   3.445
  113    HD2  TYR  15           2HD      TYR  15  -0.137  10.912   4.083
  114    HE1  TYR  15           1HE      TYR  15   3.768  13.867   4.531
  115    HE2  TYR  15           2HE      TYR  15  -0.381  13.105   5.166
  116    HH   TYR  15           HH       TYR  15   1.895  15.533   4.939
  117    HA   PRO  16           HA       PRO  16   3.365   6.686  -0.768
  118    HB2  PRO  16           2HB      PRO  16   5.772   7.007  -1.936
  119    HB3  PRO  16           3HB      PRO  16   4.342   7.893  -2.466
  120    HG2  PRO  16           2HG      PRO  16   6.597   8.787  -0.716
  121    HG3  PRO  16           3HG      PRO  16   5.746   9.678  -2.033
  122    HD2  PRO  16           2HD      PRO  16   5.261   9.985   0.689
  123    HD3  PRO  16           3HD      PRO  16   4.124  10.399  -0.605
  124    H    VAL  17           H        VAL  17   4.046   4.750  -0.137
  125    HA   VAL  17           HA       VAL  17   6.472   4.496   1.480
  126    HB   VAL  17           HB       VAL  17   5.433   3.061   3.130
  127   HG11  VAL  17          1HG1      VAL  17   5.469   5.415   3.666
  128   HG12  VAL  17          2HG1      VAL  17   3.916   5.648   2.868
  129   HG13  VAL  17          3HG1      VAL  17   4.021   4.664   4.329
  130   HG21  VAL  17          3HG2      VAL  17   3.033   2.686   3.253
  131   HG22  VAL  17          1HG2      VAL  17   2.799   3.600   1.762
  132   HG23  VAL  17          2HG2      VAL  17   3.687   2.077   1.733
  133    H    CYS  18           H        CYS  18   6.928   2.052   1.798
  134    HA   CYS  18           HA       CYS  18   6.079   0.640  -0.642
  135    HB2  CYS  18           2HB      CYS  18   8.429   1.329  -0.745
  136    HB3  CYS  18           3HB      CYS  18   8.748   0.445   0.762
  137    H    GLY  19           H        GLY  19   5.196  -1.288  -0.390
  138    HA2  GLY  19           2HA      GLY  19   4.948  -2.419   2.282
  139    HA3  GLY  19           3HA      GLY  19   4.196  -3.024   0.799
  140    H    SER  20           H        SER  20   5.620  -4.515   2.833
  141    HA   SER  20           HA       SER  20   8.310  -4.942   2.293
  142    HB2  SER  20           2HB      SER  20   6.998  -5.596   4.357
  143    HB3  SER  20           3HB      SER  20   6.442  -7.011   3.446
  144    HG   SER  20           HG       SER  20   8.429  -7.851   3.459
  145    H    ASP  21           H        ASP  21   5.649  -5.991   0.427
  146    HA   ASP  21           HA       ASP  21   6.953  -8.261  -0.768
  147    HB2  ASP  21           2HB      ASP  21   4.456  -7.926  -0.702
  148    HB3  ASP  21           3HB      ASP  21   4.655  -6.618  -1.871
  149    HD2  ASP  21           HD       ASP  21   4.795  -8.826  -4.492
  150    H    GLY  22           H        GLY  22   7.489  -5.013  -0.850
  151    HA2  GLY  22           2HA      GLY  22   9.143  -3.895  -2.084
  152    HA3  GLY  22           3HA      GLY  22   9.061  -5.178  -3.302
  153    H    VAL  23           H        VAL  23   6.158  -3.653  -2.041
  154    HA   VAL  23           HA       VAL  23   5.703  -2.742  -4.802
  155    HB   VAL  23           HB       VAL  23   4.147  -4.436  -4.186
  156   HG11  VAL  23          1HG1      VAL  23   2.627  -4.188  -2.244
  157   HG12  VAL  23          2HG1      VAL  23   4.325  -4.389  -1.801
  158   HG13  VAL  23          3HG1      VAL  23   3.580  -2.792  -1.734
  159   HG21  VAL  23          3HG2      VAL  23   2.765  -1.763  -3.993
  160   HG22  VAL  23          1HG2      VAL  23   3.223  -2.581  -5.484
  161   HG23  VAL  23          2HG2      VAL  23   2.007  -3.294  -4.425
  162    H    THR  24           H        THR  24   5.036  -0.714  -5.260
  163    HA   THR  24           HA       THR  24   5.533   1.322  -3.293
  164    HB   THR  24           HB       THR  24   4.701   1.401  -6.193
  165    HG1  THR  24           1HG      THR  24   6.887   2.275  -6.349
  166   HG21  THR  24          3HG2      THR  24   3.798   3.369  -5.047
  167   HG22  THR  24          1HG2      THR  24   5.109   3.808  -6.143
  168   HG23  THR  24          2HG2      THR  24   5.401   3.729  -4.406
  169    H    TYR  25           H        TYR  25   4.061   2.098  -1.963
  170    HA   TYR  25           HA       TYR  25   1.249   1.941  -2.726
  171    HB2  TYR  25           2HB      TYR  25   2.680   2.089  -0.090
  172    HB3  TYR  25           3HB      TYR  25   0.969   2.448  -0.232
  173    HD1  TYR  25           2HD      TYR  25  -0.526   0.683  -1.366
  174    HD2  TYR  25           1HD      TYR  25   3.353  -0.144   0.153
  175    HE1  TYR  25           2HE      TYR  25  -1.074  -1.708  -1.303
  176    HE2  TYR  25           1HE      TYR  25   2.819  -2.540   0.215
  177    HH   TYR  25           HH       TYR  25   0.116  -3.868  -1.339
  178    H    SER  26           H        SER  26   0.048   3.660  -2.960
  179    HA   SER  26           HA       SER  26   1.322   6.131  -3.517
  180    HB2  SER  26           2HB      SER  26  -1.591   5.307  -3.442
  181    HB3  SER  26           3HB      SER  26  -1.013   6.858  -4.065
  182    HG   SER  26           HG       SER  26   0.234   4.591  -5.076
  183    H    ASN  27           H        ASN  27  -0.371   4.900  -0.746
  184    HA   ASN  27           HA       ASN  27   0.426   7.002   0.930
  185    HB2  ASN  27           2HB      ASN  27  -1.824   7.959   1.473
  186    HB3  ASN  27           3HB      ASN  27  -1.239   8.372  -0.143
  187   HD21  ASN  27          1HD2      ASN  27  -3.359   8.838  -0.784
  188   HD22  ASN  27          2HD2      ASN  27  -4.480   7.572  -1.160
  189    HA   PRO  28           HA       PRO  28  -0.627   4.155   4.209
  190    HB2  PRO  28           2HB      PRO  28  -2.472   5.642   5.754
  191    HB3  PRO  28           3HB      PRO  28  -0.722   5.594   5.957
  192    HG2  PRO  28           2HG      PRO  28  -2.422   7.570   4.509
  193    HG3  PRO  28           3HG      PRO  28  -0.934   7.835   5.491
  194    HD2  PRO  28           2HD      PRO  28  -0.877   7.957   2.814
  195    HD3  PRO  28           3HD      PRO  28   0.449   7.221   3.729
  196    H    CYS  29           H        CYS  29  -3.372   5.943   2.902
  197    HA   CYS  29           HA       CYS  29  -5.462   4.204   3.446
  198    HB2  CYS  29           2HB      CYS  29  -5.911   6.355   2.545
  199    HB3  CYS  29           3HB      CYS  29  -4.918   6.046   1.112
  200    H    ASN  30           H        ASN  30  -3.361   4.309   0.598
  201    HA   ASN  30           HA       ASN  30  -4.416   2.050  -0.689
  202    HB2  ASN  30           2HB      ASN  30  -3.187   3.678  -1.925
  203    HB3  ASN  30           3HB      ASN  30  -1.768   3.482  -0.890
  204   HD21  ASN  30          1HD2      ASN  30  -3.504   0.669  -1.968
  205   HD22  ASN  30          2HD2      ASN  30  -2.322   0.149  -3.115
  206    H    PHE  31           H        PHE  31  -1.632   2.407   1.508
  207    HA   PHE  31           HA       PHE  31  -0.707  -0.249   1.271
  208    HB2  PHE  31           1HB      PHE  31   0.662   1.569   2.188
  209    HB3  PHE  31           2HB      PHE  31  -0.425   1.713   3.568
  210    HD1  PHE  31           2HD      PHE  31   2.261  -0.305   2.060
  211    HD2  PHE  31           1HD      PHE  31  -0.374   0.115   5.383
  212    HE1  PHE  31           2HE      PHE  31   3.634  -1.873   3.343
  213    HE2  PHE  31           1HE      PHE  31   1.001  -1.464   6.669
  214    HZ   PHE  31           HZ       PHE  31   3.004  -2.473   5.638
  215    H    SER  32           H        SER  32  -2.844   1.278   3.683
  216    HA   SER  32           HA       SER  32  -3.182  -1.044   5.249
  217    HB2  SER  32           2HB      SER  32  -3.632   1.233   6.088
  218    HB3  SER  32           3HB      SER  32  -5.015   1.350   4.990
  219    HG   SER  32           HG       SER  32  -5.895  -0.525   6.104
  220    H    ALA  33           H        ALA  33  -5.270   0.423   2.754
  221    HA   ALA  33           HA       ALA  33  -7.358  -1.454   3.088
  222    HB1  ALA  33           1HB      ALA  33  -8.309  -0.498   1.067
  223    HB2  ALA  33           2HB      ALA  33  -7.713   0.771   2.138
  224    HB3  ALA  33           3HB      ALA  33  -6.781   0.310   0.711
  225    H    GLN  34           H        GLN  34  -4.647  -1.273   0.847
  226    HA   GLN  34           HA       GLN  34  -5.438  -3.359  -0.865
  227    HB2  GLN  34           2HB      GLN  34  -3.715  -1.801  -1.497
  228    HB3  GLN  34           3HB      GLN  34  -2.714  -2.288  -0.122
  229    HG2  GLN  34           2HG      GLN  34  -1.841  -3.222  -2.168
  230    HG3  GLN  34           3HG      GLN  34  -2.442  -4.505  -1.110
  231   HE21  GLN  34          1HE2      GLN  34  -2.588  -5.848  -2.960
  232   HE22  GLN  34          2HE2      GLN  34  -3.914  -5.697  -4.047
  233    H    GLN  35           H        GLN  35  -3.509  -3.305   2.086
  234    HA   GLN  35           HA       GLN  35  -2.916  -6.091   1.888
  235    HB2  GLN  35           2HB      GLN  35  -2.384  -3.945   3.904
  236    HB3  GLN  35           3HB      GLN  35  -1.949  -5.631   4.201
  237    HG2  GLN  35           2HG      GLN  35  -0.410  -5.709   2.492
  238    HG3  GLN  35           3HG      GLN  35  -1.152  -4.346   1.642
  239   HE21  GLN  35          1HE2      GLN  35   0.882  -3.413   1.436
  240   HE22  GLN  35          2HE2      GLN  35   1.588  -2.589   2.784
  241    H    GLU  36           H        GLU  36  -5.177  -4.183   3.870
  242    HA   GLU  36           HA       GLU  36  -5.975  -6.428   5.427
  243    HB2  GLU  36           2HB      GLU  36  -7.839  -5.054   6.186
  244    HB3  GLU  36           3HB      GLU  36  -6.319  -4.149   6.229
  245    HG2  GLU  36           2HG      GLU  36  -6.956  -3.109   4.045
  246    HG3  GLU  36           3HG      GLU  36  -8.536  -3.886   4.222
  247    HE2  GLU  36           HE       GLU  36  -9.565  -1.602   6.595
  248    H    GLN  37           H        GLN  37  -6.869  -5.250   2.290
  249    HA   GLN  37           HA       GLN  37  -9.197  -7.001   2.202
  250    HB2  GLN  37           2HB      GLN  37  -8.101  -4.976   0.248
  251    HB3  GLN  37           3HB      GLN  37  -9.525  -5.983  -0.067
  252    HG2  GLN  37           2HG      GLN  37 -10.748  -4.973   1.712
  253    HG3  GLN  37           3HG      GLN  37  -9.307  -4.126   2.291
  254   HE21  GLN  37          1HE2      GLN  37  -8.411  -3.428  -0.377
  255   HE22  GLN  37          2HE2      GLN  37  -9.444  -2.153  -0.923
  256    H    CYS  38           H        CYS  38  -5.879  -6.960   1.050
  257    HA   CYS  38           HA       CYS  38  -6.468  -9.403  -0.462
  258    HB2  CYS  38           2HB      CYS  38  -4.924  -7.051  -1.533
  259    HB3  CYS  38           3HB      CYS  38  -5.082  -8.619  -2.345
  260    H    ASP  39           H        ASP  39  -3.745  -7.349   0.733
  261    HA   ASP  39           HA       ASP  39  -2.111  -9.804   0.722
  262    HB2  ASP  39           2HB      ASP  39  -1.235  -6.956   0.165
  263    HB3  ASP  39           3HB      ASP  39  -0.151  -8.349   0.270
  264    HD2  ASP  39           HD       ASP  39  -1.400  -9.602  -2.819
  265    HA   PRO  40           HA       PRO  40  -2.541  -7.851   4.948
  266    HB2  PRO  40           2HB      PRO  40  -2.999 -10.148   6.370
  267    HB3  PRO  40           3HB      PRO  40  -4.259  -9.240   5.540
  268    HG2  PRO  40           2HG      PRO  40  -2.772 -11.682   4.657
  269    HG3  PRO  40           3HG      PRO  40  -4.530 -11.304   4.524
  270    HD2  PRO  40           2HD      PRO  40  -2.786 -11.095   2.439
  271    HD3  PRO  40           3HD      PRO  40  -4.217 -10.065   2.619
  272    H    ASN  41           H        ASN  41  -0.326 -10.078   3.627
  273    HA   ASN  41           HA       ASN  41   0.951 -10.598   6.198
  274    HB2  ASN  41           2HB      ASN  41   1.441 -11.829   3.482
  275    HB3  ASN  41           3HB      ASN  41   2.247 -12.311   4.979
  276   HD21  ASN  41          1HD2      ASN  41   1.023 -13.281   6.640
  277   HD22  ASN  41          2HD2      ASN  41  -0.491 -14.057   6.303
  278    H    ILE  42           H        ILE  42   1.308  -8.079   4.180
  279    HA   ILE  42           HA       ILE  42   4.239  -8.178   4.521
  280    HB   ILE  42           HB       ILE  42   4.580  -6.583   2.837
  281   HG12  ILE  42          2HG1      ILE  42   1.595  -6.166   2.787
  282   HG13  ILE  42          3HG1      ILE  42   2.826  -5.005   3.311
  283   HG21  ILE  42          1HG2      ILE  42   2.422  -8.468   1.952
  284   HG22  ILE  42          2HG2      ILE  42   3.443  -7.523   0.868
  285   HG23  ILE  42          3HG2      ILE  42   4.164  -8.744   1.919
  286   HD11  ILE  42          3HD1      ILE  42   2.430  -6.047   0.518
  287   HD12  ILE  42          1HD1      ILE  42   2.098  -4.415   1.103
  288   HD13  ILE  42          2HD1      ILE  42   3.759  -5.005   1.024
  289    H    THR  43           H        THR  43   5.335  -6.310   5.198
  290    HA   THR  43           HA       THR  43   3.747  -4.536   6.931
  291    HB   THR  43           HB       THR  43   5.983  -4.348   8.215
  292    HG1  THR  43           1HG      THR  43   7.549  -5.538   7.435
  293   HG21  THR  43          3HG2      THR  43   5.480  -6.358   9.548
  294   HG22  THR  43          1HG2      THR  43   4.425  -6.942   8.263
  295   HG23  THR  43          2HG2      THR  43   4.017  -5.467   9.139
  296    H    ILE  44           H        ILE  44   4.940  -2.381   7.330
  297    HA   ILE  44           HA       ILE  44   5.547  -1.159   4.856
  298    HB   ILE  44           HB       ILE  44   6.285  -0.149   7.618
  299   HG12  ILE  44          2HG1      ILE  44   3.780   0.342   5.986
  300   HG13  ILE  44          3HG1      ILE  44   3.875  -0.665   7.439
  301   HG21  ILE  44          1HG2      ILE  44   7.430   1.027   5.817
  302   HG22  ILE  44          2HG2      ILE  44   5.887   1.313   5.008
  303   HG23  ILE  44          3HG2      ILE  44   6.217   2.067   6.568
  304   HD11  ILE  44          3HD1      ILE  44   4.328   2.306   7.310
  305   HD12  ILE  44          1HD1      ILE  44   2.926   1.478   7.985
  306   HD13  ILE  44          2HD1      ILE  44   4.503   1.312   8.755
  307    H    ALA  45           H        ALA  45   7.340  -1.309   3.707
  308    HA   ALA  45           HA       ALA  45   9.707  -2.519   4.848
  309    HB1  ALA  45           1HB      ALA  45   8.898  -3.213   2.634
  310    HB2  ALA  45           2HB      ALA  45   9.194  -1.583   2.026
  311    HB3  ALA  45           3HB      ALA  45  10.544  -2.581   2.568
  312    H    HIS  46           H        HIS  46   8.836   0.549   3.295
  313    HA   HIS  46           HA       HIS  46  10.535   2.011   5.006
  314    HB2  HIS  46           2HB      HIS  46  12.185   2.865   3.496
  315    HB3  HIS  46           3HB      HIS  46  12.267   1.104   3.466
  316    HD1  HIS  46           1HD      HIS  46  11.408   4.050   1.314
  317    HD2  HIS  46           2HD      HIS  46  11.631  -0.098   1.028
  318    HE1  HIS  46           1HE      HIS  46  11.293   3.529  -1.145
  319    HE2  HIS  46           2HE      HIS  46  11.681   1.041  -1.295
  320    H    MET  47           H        MET  47  10.371   4.283   4.725
  321    HA   MET  47           HA       MET  47   7.919   5.169   3.539
  322    HB2  MET  47           2HB      MET  47  10.238   6.723   4.726
  323    HB3  MET  47           3HB      MET  47   8.688   7.429   4.252
  324    HG2  MET  47           2HG      MET  47   9.066   5.324   6.386
  325    HG3  MET  47           3HG      MET  47   8.856   7.054   6.671
  326    HE1  MET  47           3HE      MET  47   6.702   7.907   4.561
  327    HE2  MET  47           1HE      MET  47   5.197   7.683   5.455
  328    HE3  MET  47           2HE      MET  47   6.605   8.383   6.256
  329    H    GLY  48           H        GLY  48   7.686   6.515   1.722
  330    HA2  GLY  48           2HA      GLY  48   8.481   7.582  -0.248
  331    HA3  GLY  48           3HA      GLY  48  10.046   6.787  -0.005
  332    H    GLU  49           H        GLU  49   8.321   6.823  -2.386
  333    HA   GLU  49           HA       GLU  49   7.008   4.300  -2.546
  334    HB2  GLU  49           2HB      GLU  49   6.901   4.876  -5.037
  335    HB3  GLU  49           3HB      GLU  49   6.057   5.939  -3.902
  336    HG2  GLU  49           2HG      GLU  49   7.036   7.480  -5.265
  337    HG3  GLU  49           3HG      GLU  49   8.270   7.319  -4.008
  338    HE2  GLU  49           HE       GLU  49  10.572   6.406  -6.351
  339    H    CYS  50           H        CYS  50   7.557   2.532  -3.928
  340    HA   CYS  50           HA       CYS  50  10.346   1.912  -3.512
  341    HB2  CYS  50           1HB      CYS  50   7.905   0.487  -3.395
  342    HB3  CYS  50           2HB      CYS  50   8.921  -0.287  -4.622